SCHEMBL8901981

SCHEMBL8901981

COc1cc(OCC2CC2)ccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.68
PARP15 Q460N3 4/20 0.68
ALDH1A1 P00352 2/20 0.49
PARP2 Q9UGN5 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
ACACB O00763 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
NR1H4 Q96RI1 2/20 0.43
NPC1 O15118 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL17204380 0.90 PARP15 (0.55) PARP10PARP15PARP2PDE4APDE4B
SCHEMBL3225627 0.87 PARP10 (0.67) PARP10PARP15ALDH1A1PARP2PDE4A
SCHEMBL17204413 0.86 KDM4E (0.52) PARP10PARP15ALDH1A1PARP2PDE4B
SCHEMBL7479357 0.83 PARP15 (0.53) PARP10PARP15ALDH1A1KDM4EHPGD
SCHEMBL1390989 0.82 PARP10 (0.53) PARP10PARP15PARP2NR1H4KDM5A
SCHEMBL26123824 0.82 PARP10 (0.50) PARP10PARP15PARP2NR1H4KDM5A
SCHEMBL8294276 0.81 PARP10 (0.53) PARP10PARP15ALDH1A1PARP2ACACB
SCHEMBL1881271 0.80 KDM4E (0.59) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL4654741 0.80 PARP10 (0.61) PARP10PARP15ALDH1A1PARP2KDM4E
SCHEMBL14812351 0.80 POLB (0.54) PARP10PARP15ALDH1A1PARP2PDE4A

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-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
CN-103998432-A Bicyclic compounds TAKEDA PHARMACEUTICAL 2014-08-20 CN disclosed
US-5686482-A DOPAMINE RECEPTOR ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-11 US disclosed
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 PARP10 3280/4885PARP15 1936/4885ALDH1A1 450/4885

“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.