SCHEMBL2931653

SCHEMBL2931653

CCOC(=O)c1cc(OCc2ccccc2OC)c2ccc(OCc3c(C)cccc3C)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.42
PARP14 Q460N5 1/20 0.42
RECQL P46063 1/20 0.41
PARP15 Q460N3 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.40
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2933945 0.90 RECQL (0.45) PARP10PARP14RECQLPARP15MEN1
SCHEMBL13057712 0.87 ALDH1A1 (0.43) MAPTALDH1A1RAB9ANPSR1MEN1
SCHEMBL13057710 0.82 ALDH1A1 (0.46) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL2928195 0.80 BCL2L1 (0.47) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL13057713 0.78 P2RY14 (0.48) SMN1; SMN2POLB
SCHEMBL2935746 0.78 MAOB (0.40) MAPTALDH1A1GAARAB9ANPSR1
SCHEMBL6206631 0.77 MAOB (0.51) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL2932687 0.76 P2RY14 (0.60) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL11605162 0.76 MEN1 (0.58) PARP10PARP14MAPTALDH1A1LMNA
SCHEMBL13057669 0.75 BCL2L1 (0.49) MAPTALDH1A1HPGDRAB9ANPSR1

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-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

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 PARP10 1788/4885PARP14 2851/4885RECQL 4226/4885

“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.