SCHEMBL2950607

SCHEMBL2950607

CC(=O)OC1C=CC(=O)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ HSD11B1 P28845 2/20 0.34
▸ HSD11B2 P80365 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ ESR1 P03372 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
SCHEMBL2946885 0.82 L3MBTL1 (0.33) —
SCHEMBL13236739 0.82 L3MBTL1 (0.33) —
SCHEMBL2946886 0.82 L3MBTL1 (0.33) —
SCHEMBL6528440 0.68 DNTT (0.36) POLBNLRP3
SCHEMBL6528438 0.68 DNTT (0.36) POLBNLRP3
SCHEMBL5986953 0.65 POLB (0.34) POLBTSHRKMT2AALDH1A1ESR1
SCHEMBL13508819 0.64 POLB (0.38) MAPK1MDM2POLBCA1CA2
SCHEMBL28680982 0.62 ALOX15 (0.32) POLBTSHR
SCHEMBL10333187 0.61 POLB (0.35) POLBCA1CA2ALOX5NLRP3
SCHEMBL7433974 0.61 POLB (0.35) HTTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59039853-A — — None — — JP disclosed
JP-61108395-A — — None — — JP disclosed
US-7759399-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2010-07-20 — — US disclosed
US-7759399-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2010-07-20 — — US disclosed
US-7759399-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2010-07-20 — — US disclosed
US-20060252839-A1 Pharmaceutical compositions BIOGEM S.C.A.R.L. (IT) 2006-11-09 — — US disclosed
EP-1487789-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS Charterhouse Therapeutics Ltd. (GB) 2004-12-22 — — EP disclosed
WO-2003082813-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS CHARTERHOUSE THERAPEUTICS LIMITED (GB) 2003-10-09 — — WO disclosed
JP-S61108395-A PRODUCTION OF OPTICALLY ACTIVE 5-DIMETHYL-2-CYCLOPENTENONE SUMITOMO CHEM CO LTD 1986-05-27 — — JP disclosed
JP-S5939853-A PREPARATION OF CYCLOPENTENONE ESTERS SUMITOMO CHEM CO LTD 1984-03-05 — — JP disclosed
US-4117014-A PROSTAGLANDIN DERIVATIVES ABBOTT LABORATORIES (US) 1978-09-26 — — 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-20060252839-A1 Pharmaceutical compositions ADK, SYMPK, CYP2J2 NPC1 508/4885MAPT 2906/4885XBP1 3009/4885

“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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