SCHEMBL15534796

SCHEMBL15534796

COc1cc(C#N)c(Cc2ccc(C)cc2C)c(C#N)c1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
AR P10275 7/20 0.40
IMPDH2 P12268 1/20 0.38
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
IDH1 O75874 2/20 0.36
PGR P06401 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2C P28335 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL22635724 0.95 GAA (0.37) GAAARIMPDH2PTPN7DUSP3
SCHEMBL16969086 0.90 AR (0.40) GAAARIMPDH2IDH1PGR
SCHEMBL15535388 0.86 ALDH1A1 (0.42) ARPGRALDH1A1TSHRHTR2A
SCHEMBL15535120 0.85 AR (0.44) ARPGRNR3C1NR3C2
SCHEMBL15535963 0.85 AMY1A (0.36) ARKDM4ENPSR1HSD17B10
SCHEMBL15535175 0.84 AR (0.42) GAAARIMPDH2ALDH1A1HTR2A
SCHEMBL15547174 0.83 TSHR (0.33) ARPGRALDH1A1TSHRHTR2A
SCHEMBL15536337 0.81 KDM4E (0.47) GAAARIMPDH2PGRALDH1A1
SCHEMBL15535741 0.81 ALDH1A1 (0.46) ARIDH1PGRALDH1A1TSHR
SCHEMBL15535871 0.80 KDM4E (0.35) ARIMPDH2ALDH1A1HTR2AKDM4E

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 GAA 161/4885AR 1837/4885IMPDH2 553/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT GAA 161/4885AR 1837/4885IMPDH2 553/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT GAA 161/4885AR 1837/4885IMPDH2 553/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT GAA 161/4885AR 1837/4885IMPDH2 553/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT GAA 161/4885AR 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.