SCHEMBL2927151

SCHEMBL2927151

CCOC(=O)c1cc(OCOCC[Si](C)(C)C)c2ccc(O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
BCL2L1 Q07817 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AKR1B1 P15121 1/20 0.38
HSD17B2 P37059 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL6041493 0.87 CDC25B (0.40) CA12CA1CA2CA7CA9
SCHEMBL2929211 0.85 MEN1 (0.48) MEN1KMT2AMAOB
SCHEMBL13057674 0.83 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1628995 0.78 HSD17B2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6041863 0.75 TDP1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL4912817 0.74 TDP1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL13057649 0.74 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL4423987 0.72 NQO2 (0.39) MEN1KMT2AMAPTKDM4E
SCHEMBL13057635 0.71 BCL2L1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL6043159 0.71 TDP1 (0.53) MEN1KMT2AMAPTTSHR

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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
EP-2229373-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 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 (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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 CA12 4775/4885CA1 4847/4885CA2 3097/4885

“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.