SCHEMBL1258807

SCHEMBL1258807

Cc1cccc(CC([O])=O)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ P2RX7 Q99572 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ STING1 Q86WV6 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ CTBP2 P56545 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL228994 0.83 PTGS2 (0.57) ESR1ESR2GLASTING1PTGS2
SCHEMBL29363967 0.83 PTGS2 (0.57) ESR1ESR2GLASTING1PTGS2
SCHEMBL7188564 0.83 L3MBTL1 (0.43) ESR1ESR2P2RX7GLASTING1
SCHEMBL1259145 0.83 CTBP2 (0.56) PTGS2CTBP2MAPTMEN1KMT2A
SCHEMBL7405623 0.82 P2RX7 (0.44) ESR1ESR2P2RX7GLASTING1
Hydrochloric Acid SCHEMBL49165 0.82 PTGS2 (0.56) ESR1ESR2GLASTING1PTGS2
SCHEMBL339508 0.82 P2RX7 (0.44) ESR1ESR2P2RX7GLASTING1
SCHEMBL1257814 0.81 SMN1; SMN2 (0.39) GLASTING1CTBP2MAPTMEN1
Hydrochloric Acid SCHEMBL14167164 0.80 P2RX7 (0.43) ESR1ESR2P2RX7GLASTING1
Hydrochloric Acid SCHEMBL8900388 0.80 PTGS2 (0.54) ESR1ESR2GLASTING1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142988-A1 METHOD OF PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 — — US disclosed
WO-2011016581-A1 METHOD OF PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 — — WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 — — EP 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-20120142988-A1 METHOD OF PRODUCING 1-HEXENE HRH1, HK1, HMOX1 ESR1 970/4885ESR2 866/4885P2RX7 2883/4885

“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.

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