SCHEMBL15535458

SCHEMBL15535458

N#Cc1cc(O)c(O)c(C#N)c1Cc1ccc(CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.43
RXRG P48443 3/20 0.43
RXRB P28702 2/20 0.43
GAA P10253 4/20 0.41
TSHR P16473 3/20 0.41
NFKB1 P19838 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RGS12 O14924 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
GNAI1 P63096 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL15536612 0.88 FFAR1 (0.45) CA2KDM5BFFAR1AKR1B1
SCHEMBL15535465 0.86 AR (0.42) TSHRLMNACA2SNCASELL
SCHEMBL15534930 0.85 ALDH1A1 (0.43) GAATSHRLMNAKDM4EMAPT
SCHEMBL15535010 0.84 SNCA (0.43) GAALMNAKDM4EHPGDHSD17B10
SCHEMBL15535340 0.84 BCL2 (0.41) GAAKDM4EMAPTSNCAKDM5B
SCHEMBL15535114 0.84 GAA (0.46) RXRARXRGRXRBGAATSHR
SCHEMBL15535245 0.83 SNCA (0.42) GAAKDM4EMAPTSNCAKDM5B
SCHEMBL15535677 0.83 ALDH1A1 (0.38) GAATSHRTDP1LMNAKDM4E
SCHEMBL15535762 0.82 MAOA (0.41) SNCAKDM5B
SCHEMBL15535373 0.82 SNCA (0.41) LMNAKDM4EMAPTHPGDHSD17B10

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 17 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
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP claimed
CN-104334525-A Catechol o-methyltransferase activity inhibiting compounds ORION CORP 2015-02-04 CN claimed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 WO 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
CN-104334525-B catechol O-methyltransferase activity inhibiting compounds 奥赖恩公司 2017-05-10 CN 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
CN-104334525-A Catechol o-methyltransferase activity inhibiting compounds ORION CORP 2015-02-04 CN 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 RXRA 3725/4885RXRG 3329/4885RXRB 3542/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT RXRA 3725/4885RXRG 3329/4885RXRB 3542/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT RXRA 3725/4885RXRG 3329/4885RXRB 3542/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT RXRA 3725/4885RXRG 3329/4885RXRB 3542/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT RXRA 3725/4885RXRG 3329/4885RXRB 3542/4885

“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.