SCHEMBL15536397

SCHEMBL15536397

COc1cc(C#N)c(Cc2ccc(C(F)(F)F)cc2)c(C#N)c1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RORC P51449 3/20 0.39
DUSP3 P51452 2/20 0.38
TMEM97 Q5BJF2 1/20 0.37
GCGR P47871 1/20 0.36
PTPN7 P35236 1/20 0.36
PPARA Q07869 2/20 0.36
IDH1 O75874 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
VKORC1 Q9BQB6 1/20 0.36
PPARD Q03181 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL15535653 0.89 AR (0.38) ARKDM4ERAB9AALDH1A1
SCHEMBL15548579 0.86 KDM4E (0.38) ARKDM4EDUSP3RAB9AALDH1A1
SCHEMBL15548971 0.86 AR (0.40) ARPPARAIDH1CYP3A4PPARD
SCHEMBL15535175 0.85 AR (0.42) ARKDM4EMAPTRAB9AALDH1A1
SCHEMBL15534840 0.85 MAPK1 (0.36) ARKDM4EMAPTRAB9AALDH1A1
SCHEMBL16969056 0.85 MAOB (0.42) ARCYP2D6VKORC1ALDH1A1
SCHEMBL15535215 0.84 NPC1 (0.49) KDM4EGCGRRAB9AALDH1A1
SCHEMBL15534789 0.84 KDM4E (0.43) ARKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL15535145 0.84 VKORC1 (0.39) ARRORCIDH1VKORC1
SCHEMBL15535172 0.82 ERN1 (0.41) ARGCGRRAB9AALDH1A1

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
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 US disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 US disclosed
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-06-15 US disclosed
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP disclosed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US disclosed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US disclosed
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP disclosed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 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 (5 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-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT AR 1837/4885KDM4E 576/4885RORC 2342/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT AR 1837/4885KDM4E 576/4885RORC 2342/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT AR 1837/4885KDM4E 576/4885RORC 2342/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT AR 1837/4885KDM4E 576/4885RORC 2342/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT AR 1837/4885KDM4E 576/4885RORC 2342/4885

“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.