SCHEMBL4403486

SCHEMBL4403486

CC(C)(C)Cc1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GAA P10253 1/20 0.36
ACHE P22303 1/20 0.35
ESR1 P03372 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
TMEM97 Q5BJF2 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ADRB3 P13945 1/20 0.32
TSPO P30536 1/20 0.32
HTR7 P34969 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL12870195 0.87 ACHE (0.44) KDM4ESMN1; SMN2ALDH1A1TAAR1GAA
SCHEMBL13094122 0.85 TAAR1 (0.37) KDM4ESMN1; SMN2ALDH1A1TAAR1GAA
SCHEMBL6984300 0.85 TAAR1 (0.55) KDM4ESMN1; SMN2TAAR1GAANPSR1
SCHEMBL15107553 0.85 ANO1 (0.41) KDM4ESMN1; SMN2ALDH1A1TAAR1GAA
SCHEMBL19728344 0.83 SLC6A2 (0.42) KDM4ESMN1; SMN2ALDH1A1TAAR1MEN1
SCHEMBL10190860 0.82 KDM1A (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AKCNH2
SCHEMBL19725442 0.80 MPO (0.37) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4481165 0.79 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1TAAR1GAA
SCHEMBL22389465 0.76 L3MBTL1 (0.36) KDM4EALDH1A1MEN1KMT2A
SCHEMBL12870194 0.76 ESR1 (0.32) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230555-B2 Bicyclic RORγ modulators ESCALIER BIOSCIENCES B.V. (US) 2022-01-25 US disclosed
US-10458995-B2 Combinatorial synthesis and biomarker development TEN30 BIOSCIENCES, INC. 2019-10-29 US disclosed
US-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-25 US disclosed
US-20190113521-A1 COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT TEN30 BIOSCIENCES, INC. 2019-04-18 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-07-17 US disclosed
US-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-07-17 US disclosed
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-07-05 US disclosed
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-07-05 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO 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 (13 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KDM4E 574/4885SMN1; SMN2 1394/4885ALDH1A1 617/4885
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 KDM4E 3835/4885SMN1; SMN2 2627/4885ALDH1A1 2948/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC KDM4E 2426/4885SMN1; SMN2 3896/4885ALDH1A1 1669/4885
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 KDM4E 942/4885SMN1; SMN2 2801/4885ALDH1A1 565/4885
US-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same GRK2, GRK4, GRK3 KDM4E 3363/4885SMN1; SMN2 4674/4885ALDH1A1 3489/4885
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME GRK2, GRK4, GRK3 KDM4E 3363/4885SMN1; SMN2 4674/4885ALDH1A1 3489/4885
US-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same GRK2, GRK4, GRK5 KDM4E 3718/4885SMN1; SMN2 4310/4885ALDH1A1 3551/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK KDM4E 3026/4885SMN1; SMN2 1371/4885ALDH1A1 148/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC KDM4E 4582/4885SMN1; SMN2 3139/4885ALDH1A1 3986/4885
US-20190113521-A1 COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT APP, PSEN2, PSEN1 KDM4E 4305/4885SMN1; SMN2 1559/4885ALDH1A1 4306/4885
US-11230555-B2 Bicyclic RORγ modulators RORC, RORA, RORB KDM4E 3213/4885SMN1; SMN2 2480/4885ALDH1A1 403/4885
US-10458995-B2 Combinatorial synthesis and biomarker development APP, PSEN2, PSEN1 KDM4E 4229/4885SMN1; SMN2 1679/4885ALDH1A1 4308/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 KDM4E 3835/4885SMN1; SMN2 2627/4885ALDH1A1 2948/4885

“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.