SCHEMBL9710316

SCHEMBL9710316

C=C(C(=O)CC)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.63
CES2 O00748 6/20 0.63
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ATM Q13315 2/20 0.44
LMNA P02545 2/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1538140 0.80 CES1 (0.68) CES1CES2MAPTALDH1A1LMNA
SCHEMBL28813199 0.80 CES1 (0.44) CES1CES2MAPTALDH1A1HPGD
SCHEMBL7023587 0.79 CES1 (0.45) CES1CES2MAPTHPGDRAB9A
SCHEMBL1538201 0.79 CES2 (0.69) CES1CES2MAPTLMNAL3MBTL1
SCHEMBL28177441 0.78 CES1 (0.43) CES1CES2MAPTALDH1A1HPGD
SCHEMBL7669290 0.77 CES2 (1.00) CES1CES2MAPTALDH1A1RAB9A
SCHEMBL4625390 0.77 CES2 (1.00) CES1CES2MAPTALDH1A1RAB9A
SCHEMBL27386846 0.77 CES1 (0.64) CES1CES2MAPTALDH1A1L3MBTL1
SCHEMBL1959867 0.77 CES1 (0.50) CES1CES2MAPTALDH1A1HPGD
SCHEMBL9789407 0.76 LMNA (0.47) CES1CES2MAPTALDH1A1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-20180114921-A1 Organic Semiconducting Material Comprising an Electrical n-Dopant and an Electron Transport Matrix and Electronic Device Comprising the Semiconducting Material NOVALED GMBH (DE) 2018-04-26 US disclosed
CN-1140708-A Synthetic method for lisinopril WUZHOU PHARMACEUTICAL FACTORY (CN) 1997-01-22 CN disclosed
WO-1992019613-A2 1,2-DITHIOLE-3-THIONE DERIVATIVE-BASED THERAPEUTICAL COMPOSITIONS LABORATOIRES DE THERAPEUTIQUE MODERNE (FR) 1992-11-12 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 (4 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-20180114921-A1 Organic Semiconducting Material Comprising an Electrical n-Dopant and an Electron Transport Matrix and Electronic Device Comprising the Semiconducting Material OCIAD2, OCIAD1, DRD1 CES1 4512/4885CES2 1737/4885MAPT 294/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CES1 2593/4885CES2 4882/4885MAPT 4297/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CES1 2115/4885CES2 4882/4885MAPT 4468/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CES1 2554/4885CES2 4882/4885MAPT 4273/4885

“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.