SCHEMBL9003499

SCHEMBL9003499

C=CCC(CC=C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 3/20 0.36
DPP4 P27487 2/20 0.36
F2 P00734 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
SCHEMBL253606 0.89 CYP2C19 (0.52) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL1610252 0.89 CYP2C19 (0.50) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL8625715 0.87 GABBR2 (0.50) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL252241 0.87 GABBR2 (0.50) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4901936 0.87 CYP2C19 (0.48) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL8059298 0.87 CYP2C19 (0.53) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL19285367 0.87 CYP2C19 (0.53) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL5161045 0.87 CYP2C19 (0.53) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL8623471 0.87 GABBR2 (0.50) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL2133730 0.87 CYP2C19 (0.48) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324616-A Encapsulated toner compositions and processes thereof XEROX CORPORATION (US) 1994-06-28 US claimed
US-5045428-A Encapsulated toner compositions and processes thereof XEROX CORPORATION (US) 1991-09-03 US claimed
CN-114085631-B Adhesive composition, method for producing the same, and article using the same 北京化工大学 2023-02-28 CN disclosed
CN-114085631-A Adhesive composition, method for producing the same, and article using the same 北京化工大学 2022-02-25 CN disclosed
US-20210070733-A1 CYCLOPENTANE COMPOUNDS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-03-11 US disclosed
US-10640587-B2 Polystyrene sulfonate analogs and methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-05-05 US disclosed
US-20180265607-A1 Polystyrene Sulfonate Analogs and Methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2018-09-20 US disclosed
CN-104768961-B Ruthenium base metathesis catalyst, for its preparation precursor with and application thereof 优美科股份公司及两合公司 2017-11-24 CN disclosed
EP-0541551-B1 RADIATION CURABLE COMPOSITIONS BASED ON 4-ACETOXYSTYRENE AND 4-HYDROXYSTYRENE HOMOPOLYMERS HOECHST CELANESE CORP (US) 1996-09-25 EP disclosed
EP-0372586-B1 Cyclic amide compounds and herbicides KUMIAI CHEMICAL INDUSTRY CO (JP) 1995-04-26 EP disclosed
US-5324616-A Encapsulated toner compositions and processes thereof XEROX CORPORATION (US) 1994-06-28 US disclosed
US-5032624-A Reaction products of p-vinyl phenol and polyisocyanates HOECHST CELANESE CORPORATION (US) 1991-07-16 US disclosed
WO-1991007445-A1 RADIATION CURABLE COMPOSITIONS BASED ON 4-ACETOXYSTYRENE AND 4-HYDROXYSTYRENE HOMOPOLYMERS HOECHST CELANESE CORPORATION (US) 1991-05-30 WO disclosed
US-5006157-A Pyrrolin-2-one compounds which are useful as herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-04-09 US disclosed
US-5004762-A Radiation curable compositions based on 4-acetoxystyrene and 4-hydroxystyrene homopolymers HOECHST CELANESE CORP. (US) 1991-04-02 US disclosed
US-4985587-A Reaction products of p-vinylphenol and polyisocyanates HOECHST CELANESE CORPORATION, ROUTE 202-206 NORTH, SOMERVILLE, NEW JERSEY 08876, A CORP. OF DE 1991-01-15 US disclosed
EP-0372586-A2 Cyclic amide compounds and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-06-13 EP disclosed
EP-0314489-A2 Reaction products of p-vinylphenol and polyisocyanates HOECHST CELANESE CORPORATION (US) 1989-05-03 EP disclosed
US-4826891-A Radiation curable copolymers of p-acetoxystyrene with allyl esters of ethylenically unsaturated acids or alkadienes HOECHST CELANESE CORPORATION (US) 1989-05-02 US disclosed
US-4826890-A Radiation curable copolymers of p-acetoxystyrene and dialkyl muconates HOECHST CELANESE CORPORATION (US) 1989-05-02 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 (1 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-20210070733-A1 CYCLOPENTANE COMPOUNDS CYP11B2, CYP11B1, CYP51A1 CYP2C19 112/4885SMN1; SMN2 1397/4885ALDH1A1 299/4885

“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.