SCHEMBL5909830

SCHEMBL5909830

CC(C)CC(=O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
EPHX1 P07099 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PSMB5 P28074 1/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.36
HSD11B1 P28845 1/20 0.36
SLC25A5 P05141 1/20 0.36
POLB P06746 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6140768 0.88
SCHEMBL16144923 0.84 CES2 (0.42) CES2CES1EPHX1ALDH1A1HDAC8
SCHEMBL2614672 0.82 ALDH1A1 (0.39) ALDH1A1TDP1PSMB5SMN1; SMN2SLC25A5
SCHEMBL1226668 0.80 SMN1; SMN2 (0.39) EPHX1ALDH1A1TDP1SMN1; SMN2SLC25A5
SCHEMBL28530350 0.78 CA1 (0.41) CES2CES1EPHX1ALDH1A1HDAC8
SCHEMBL27492997 0.78 SMN1; SMN2 (0.38) ALDH1A1TDP1SMN1; SMN2SLC25A5
SCHEMBL21112874 0.78 PIK3CD (0.44) ALDH1A1TDP1SMN1; SMN2SLC25A5
SCHEMBL10102754 0.78 SLC1A3 (0.37) CES2CES1ALDH1A1TDP1HDAC8
SCHEMBL8531959 0.77 CES2 (0.44) CES2CES1EPHX1ALDH1A1HDAC8
SCHEMBL10794617 0.77 CES2 (0.44) CES2CES1EPHX1ALDH1A1HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. 2018-07-12 US disclosed
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-05 US disclosed
US-20180179224-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-06-28 US disclosed
US-9908872-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-9856223-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-02 US disclosed
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2017-11-02 US disclosed
US-9802958-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORy and the treatment of disease LYCERA CORPORATION (US) 2017-10-31 US disclosed
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-03 US disclosed
US-20160318951-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-11-03 US disclosed
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-27 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-9394315-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2016-07-19 US disclosed
US-20150133437-A1 Tetrahydro[1,8]naphthyridine Sulfonamide and Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-05-14 US disclosed
US-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-05-07 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-04-23 US disclosed
US-4115169-A Polyfunctional ester ketimines, adhesives derived therefrom and method for adhering materials ROHM AND HAAS COMPANY (US) 1978-09-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 CES2 3610/4885CES1 2443/4885EPHX1 1227/4885
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 CES2 3017/4885CES1 1040/4885EPHX1 829/4885
US-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA CES2 2994/4885CES1 792/4885EPHX1 1312/4885
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 CES2 4439/4885CES1 722/4885EPHX1 1997/4885
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA CES2 3783/4885CES1 2270/4885EPHX1 1529/4885
US-20150133437-A1 Tetrahydro[1,8]naphthyridine Sulfonamide and Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORC, RORA, RORB CES2 3655/4885CES1 1212/4885EPHX1 719/4885
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 CES2 3919/4885CES1 2759/4885EPHX1 1383/4885
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 CES2 3610/4885CES1 2443/4885EPHX1 1227/4885
US-20160318951-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORA, RORC, RORB CES2 3956/4885CES1 1023/4885EPHX1 785/4885
US-20180179224-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORA, RORC, RORB CES2 3747/4885CES1 1220/4885EPHX1 694/4885
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 CES2 4136/4885CES1 2284/4885EPHX1 813/4885
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA CES2 3783/4885CES1 2270/4885EPHX1 1529/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.