SCHEMBL2931013

SCHEMBL2931013

CCOC(=O)c1cc(O)c2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
HSP90AA1 P07900 1/20 0.56
KMT2A Q03164 1/20 0.56
P2RY14 Q15391 1/20 0.55
MAOB P27338 5/20 0.52
LMNA P02545 2/20 0.50
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
HPGD P15428 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
PPARG P37231 1/20 0.49
NMT1 P30419 4/20 0.48
NMT2 O60551 1/20 0.48
BCL2L1 Q07817 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL13057641 0.89 MEN1 (0.57) MEN1HSP90AA1KMT2AP2RY14MAOB
SCHEMBL9022751 0.88 LMNA (0.66) MEN1KMT2AP2RY14MAOBLMNA
SCHEMBL2928195 0.85 BCL2L1 (0.47) MEN1KMT2AMAOBLMNABCL2L1
SCHEMBL13082046 0.83 ESR1 (0.52) LMNABCL2L1L3MBTL1
SCHEMBL6206631 0.82 MAOB (0.51) MEN1HSP90AA1KMT2AP2RY14MAOB
SCHEMBL3771693 0.81 BCL2L1 (0.56) MAOBLMNAHPGDBCL2L1L3MBTL1
SCHEMBL2931677 0.80 P2RY14 (0.60) MEN1HSP90AA1KMT2AP2RY14MAOB
SCHEMBL2931528 0.80 MEN1 (0.48) MEN1HSP90AA1KMT2AP2RY14MAOB
SCHEMBL4400182 0.80 KMT2A (0.67) MEN1HSP90AA1KMT2AMAOBLMNA
SCHEMBL6337447 0.80 MEN1 (0.60) MEN1HSP90AA1KMT2AMAOBLMNA

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 MEN1 4181/4885HSP90AA1 1557/4885KMT2A 3592/4885

“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.