SCHEMBL15535758

SCHEMBL15535758

Cc1cc(C)cc(-c2c(C#N)cc(O)c(O)c2C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
SELE P16581 1/20 0.38
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
CNR2 P34972 4/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
KMT2A Q03164 2/20 0.33
KDM5B Q9UGL1 1/20 0.33
MEN1 O00255 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
AR P10275 1/20 0.31
CNR1 P21554 1/20 0.31
ALDH1A1 P00352 2/20 0.30
UPP1 Q16831 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL15534481 0.89 ESR1 (0.41) ESR1ESR2KMT2AMEN1CYP11B1
SCHEMBL15535086 0.84 AR (0.43) CNR2KMT2AKDM5BMEN1AR
SCHEMBL29389484 0.81 CNR2 (0.41) CNR2KMT2AARALDH1A1KDM4E
SCHEMBL15535348 0.80 ESR1 (0.46) ESR1ESR2CNR2FNTAFNTB
SCHEMBL15536177 0.80 ESR1 (0.40) ESR1ESR2CNR2ARALDH1A1
SCHEMBL15535006 0.78 MAOA (0.44) ESR1ESR2CNR2KMT2AMEN1
SCHEMBL15534943 0.77 ESR1 (0.44) ESR1ESR2CNR2CYP11B1CYP11B2
SCHEMBL15535623 0.77 AKR1B1 (0.36) ESR1ESR2FNTAFNTBKMT2A
SCHEMBL15548471 0.77 MMP3 (0.44) ESR1ESR2FNTAFNTBAR
SCHEMBL15535381 0.76 ESR1 (0.37) ESR1ESR2ARALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP claimed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US claimed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US claimed
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 SELL 2814/4885SELP 2358/4885SELE 1742/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT SELL 2814/4885SELP 2358/4885SELE 1742/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT SELL 2814/4885SELP 2358/4885SELE 1742/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT SELL 2814/4885SELP 2358/4885SELE 1742/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT SELL 2814/4885SELP 2358/4885SELE 1742/4885

“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.