SCHEMBL15535491

SCHEMBL15535491

COC(C)c1ccc(-c2c(C#N)cc(O)c(O)c2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
EGFR P00533 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
FNTA P49354 4/20 0.32
FNTB P49356 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.31
XDH P47989 1/20 0.31

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
SCHEMBL15535272 0.86 KDM4E (0.42) CYP11B1CYP11B2ESR1ESR2FNTA
SCHEMBL15535725 0.81 MEN1 (0.44) CYP11B1CYP11B2PGRARFNTA
SCHEMBL15534797 0.80 CYP11B1 (0.41) CYP11B1CYP11B2ESR1ESR2FNTA
SCHEMBL15534481 0.79 ESR1 (0.41) CYP11B1CYP11B2ESR1ESR2AR
SCHEMBL15535304 0.77 FNTA (0.43) ESR1ESR2ARFNTAFNTB
SCHEMBL15548471 0.77 MMP3 (0.44) ESR1ESR2ARFNTAFNTB
SCHEMBL15535095 0.76 ESR1 (0.48) CYP11B1CYP11B2ESR1ESR2AR
SCHEMBL15534762 0.76 PGR (0.47) PGRAREGFRFNTAFNTB
SCHEMBL15536908 0.75 ATR (0.37) ESR1ESR2FNTAFNTBXDH
SCHEMBL15535492 0.75 PTPN1 (0.39) ESR1ESR2

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 CYP11B1 40/4885CYP11B2 64/4885AKR1C2 486/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP11B1 40/4885CYP11B2 64/4885AKR1C2 486/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP11B1 40/4885CYP11B2 64/4885AKR1C2 486/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP11B1 40/4885CYP11B2 64/4885AKR1C2 486/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP11B1 40/4885CYP11B2 64/4885AKR1C2 486/4885

“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.