SCHEMBL15548876

SCHEMBL15548876

CCCOc1ccc(-c2c(C#N)cc(O)c(O)c2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MGAM O43451 4/20 0.43
GAA P10253 4/20 0.43
SI P14410 4/20 0.43
MGAM2 Q2M2H8 4/20 0.43
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ERN1 O75460 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL15535725 0.82 MEN1 (0.44) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL15536068 0.80 ALDH1A1 (0.48) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL15536108 0.80 PDE9A (0.44) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL15534797 0.79 CYP11B1 (0.41) MAPTKMT2AERN1MAOBPOLB
SCHEMBL15548471 0.79 MMP3 (0.44) GAAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL15536183 0.78 HSD17B10 (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL15534481 0.78 ESR1 (0.41) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL15535492 0.77 PTPN1 (0.39) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL15535039 0.76 ESR1 (0.39) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL15534715 0.75 HSD17B1 (0.42) MAPTGAAALDH1A1MEN1KMT2A

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 MAPT 2140/4885MGAM 290/4885GAA 161/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT MAPT 2140/4885MGAM 290/4885GAA 161/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT MAPT 2140/4885MGAM 290/4885GAA 161/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT MAPT 2140/4885MGAM 290/4885GAA 161/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT MAPT 2140/4885MGAM 290/4885GAA 161/4885

“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.