SCHEMBL15536337

SCHEMBL15536337

COc1cc(C#N)c(Cc2cccc(C)c2)c(C#N)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
AR P10275 5/20 0.43
IMPDH2 P12268 1/20 0.41
ALOX5 P09917 1/20 0.41
BRD4 O60885 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.38
CETP P11597 1/20 0.36
ACSL1 P33121 1/20 0.36
MAOB P27338 2/20 0.35
PGR P06401 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAOA P21397 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL15535871 0.88 KDM4E (0.35) KDM4EARIMPDH2BRD4KMT2A
SCHEMBL15534789 0.88 KDM4E (0.43) KDM4EARALOX5HTR2AMAOB
SCHEMBL15535175 0.87 AR (0.42) KDM4EARIMPDH2BRD4KMT2A
SCHEMBL15535563 0.86 KDM4E (0.50) KDM4EKMT2AACSL1TP53ALDH1A1
SCHEMBL15535380 0.83 MRGPRX4 (0.47) SMN1; SMN2TP53HPGDALDH1A1RAB9A
SCHEMBL29391989 0.83 MRGPRX4 (0.47) SMN1; SMN2TP53HPGDALDH1A1RAB9A
SCHEMBL15535796 0.83 NR3C1 (0.33) KDM4EARIMPDH2ALOX5KMT2A
SCHEMBL29389304 0.83 NR3C1 (0.33) KDM4EARIMPDH2ALOX5KMT2A
SCHEMBL15534840 0.82 MAPK1 (0.36) KDM4EARKMT2AHTR2ACETP
SCHEMBL16969056 0.82 MAOB (0.42) ARCETPMAOBSMN1; SMN2LMNA

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 KDM4E 576/4885AR 1837/4885IMPDH2 553/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT KDM4E 576/4885AR 1837/4885IMPDH2 553/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT KDM4E 576/4885AR 1837/4885IMPDH2 553/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT KDM4E 576/4885AR 1837/4885IMPDH2 553/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT KDM4E 576/4885AR 1837/4885IMPDH2 553/4885

“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.