SCHEMBL3932196

SCHEMBL3932196

O=C(O)c1ccc(CCO)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.49
RARA P10276 1/20 0.49
RARG P13631 1/20 0.49
ACMSD Q8TDX5 1/20 0.47
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
LCK P06239 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
BACE1 P56817 1/20 0.44
RXRA P19793 3/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
PPARA Q07869 2/20 0.42
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41

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
SCHEMBL5505565 0.87 MRGPRX4 (0.49) RARBRARARARGACMSDLCK
SCHEMBL18740080 0.85 RARB (0.49) RARBRARARARGEPHX2NR1H4
SCHEMBL15583710 0.85 RARB (0.65) RARBRARARARGEPHX2NR1H4
SCHEMBL109609 0.84 LCK (0.52) ACMSDLCKKDM4EALDH1A1ALOX5
SCHEMBL542783 0.84 PRKAB2 (0.49) RARBRARARARGACMSDEPHX2
SCHEMBL27801899 0.83 RARB (0.48) RARBRARARARGEPHX2NR1H4
SCHEMBL6550099 0.83 RARB (0.59) RARBRARARARGEPHX2NR1H4
Hydrochloric Acid SCHEMBL12499520 0.83 TDP1 (0.48) RARBRARARARGEPHX2NR1H4
SCHEMBL3921415 0.81 CYP4A11 (0.54) KDM4EALDH1A1GAAMAPT
SCHEMBL7738951 0.80 RARB (0.60) RARBRARARARGEPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106565674-B Octahydrocyclopenta [ c ] pyrrole derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-02-05 CN disclosed
WO-2012085935-A2 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-06-28 WO disclosed
US-20090209520-A1 2 -OXYBENZAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-08-20 US disclosed
US-20090209520-A1 2 -OXYBENZAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-08-20 US disclosed
US-20090209520-A1 2 -OXYBENZAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2009-08-20 US disclosed
CN-101484421-A 2-oxybenzamide derivatives as PARP inhibitors KUDOS PHARM LTD (GB) 2009-07-15 CN disclosed
EP-2041087-A1 2 -OXYBENZAMIDE DERIVATIVES AS PARP INHIBITORS Kudos Pharmaceuticals Limited (GB) 2009-04-01 EP disclosed
WO-2007144639-A1 2 -OXYBENZAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-12-21 WO disclosed
WO-2007144639-A1 2 -OXYBENZAMIDE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-12-21 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-20090209520-A1 2 -OXYBENZAMIDE DERIVATIVES AS PARP INHIBITORS PARP2, PARP3, PARP12 RARB 3946/4885RARA 4170/4885RARG 4418/4885

“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.