SCHEMBL9004563

SCHEMBL9004563

C/C=C/C(=O)OCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.38
HCAR2 Q8TDS4 4/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10943665 1.00 GSTP1 (0.38) GSTP1HCAR2ATMALDH1A1TP53
SCHEMBL5611325 0.88 HCAR2 (0.44) HCAR2ATMALDH1A1TP53CYP3A4
SCHEMBL8085681 0.88 HCAR2 (0.44) HCAR2ATMALDH1A1TP53CYP3A4
SCHEMBL5611334 0.88 HCAR2 (0.44) HCAR2ATMALDH1A1TP53CYP3A4
SCHEMBL21636809 0.86 GSTP1 (0.38) GSTP1HCAR2ATMALDH1A1TP53
SCHEMBL13433291 0.85 MAPK1 (0.41) HCAR2ATMALDH1A1TP53CYP3A4
SCHEMBL6249926 0.84 GSTP1 (0.37) GSTP1HCAR2ATMALDH1A1TP53
SCHEMBL30849893 0.84 MAPK1 (0.43) GSTP1HCAR2ATMALDH1A1TP53
SCHEMBL15794884 0.82 HCAR2 (0.35) HCAR2ATMALDH1A1TP53CYP3A4
SCHEMBL697706 0.81 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013012365-A1 WATERBORNE HOMO OR COPOLYMER DISPERSION PERSTORP AB (SE) 2013-01-24 WO claimed
US-4508884-A COPOLYMER OF UNSATURATED SILICONE ESTER, UNSATURATED ESTER, HYDROP COOPERVISION, INC. (US) 1985-04-02 US claimed
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-20240018298-A1 OLEFINIC COMPOSITIONS COMPRISING HYDROCARBON RESINS ExxonMobil Product Solutions Company 2024-01-18 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 US disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 US disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-4508884-A COPOLYMER OF UNSATURATED SILICONE ESTER, UNSATURATED ESTER, HYDROP COOPERVISION, INC. (US) 1985-04-02 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 (11 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-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS GSTP1 496/4885HCAR2 4333/4885ATM 532/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 GSTP1 239/4885HCAR2 1975/4885ATM 3091/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 GSTP1 1519/4885HCAR2 248/4885ATM 4316/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS GSTP1 496/4885HCAR2 4333/4885ATM 532/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC GSTP1 186/4885HCAR2 4519/4885ATM 4640/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 GSTP1 510/4885HCAR2 413/4885ATM 4494/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 GSTP1 510/4885HCAR2 413/4885ATM 4494/4885
US-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS GSTP1 496/4885HCAR2 4333/4885ATM 532/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK GSTP1 3706/4885HCAR2 2931/4885ATM 459/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS GSTP1 496/4885HCAR2 4333/4885ATM 532/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC GSTP1 186/4885HCAR2 4519/4885ATM 4640/4885

“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.