SCHEMBL15535973

SCHEMBL15535973

COCCCNc1c(C#N)cc(OC)c(OC(=O)OC(C)(C)C)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 5/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
ENPP1 P22413 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CFTR P13569 1/20 0.32

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
SCHEMBL29391980 1.00 GAA (0.36) GAASMN1; SMN2TP53MAPTALDH1A1
SCHEMBL15535829 0.94 ALDH1A1 (0.39) GAAALDH1A1KDM4EHPGDLMNA
SCHEMBL29391508 0.94 ALDH1A1 (0.39) GAAALDH1A1KDM4EHPGDLMNA
SCHEMBL15536098 0.92 ALDH1A1 (0.39) GAASMN1; SMN2TP53MAPTALDH1A1
SCHEMBL15534847 0.89 HTR1A (0.36) GAATP53MAPTALDH1A1KDM4E
SCHEMBL29391518 0.89 HTR1A (0.36) GAATP53MAPTALDH1A1KDM4E
SCHEMBL15535452 0.88 ALDH1A1 (0.35) GAAALDH1A1KDM4EHPGDENPP1
SCHEMBL15536101 0.86 ALDH1A1 (0.38) GAASMN1; SMN2TP53MAPTALDH1A1
SCHEMBL16969048 0.85 ALDH1A1 (0.43) GAAALDH1A1KDM4EHPGDLMNA
SCHEMBL15548552 0.81 ALDH1A1 (0.41) GAASMN1; SMN2MAPTALDH1A1KDM4E

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 161/4885SMN1; SMN2 1535/4885TP53 2996/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT GAA 161/4885SMN1; SMN2 1535/4885TP53 2996/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT GAA 161/4885SMN1; SMN2 1535/4885TP53 2996/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT GAA 161/4885SMN1; SMN2 1535/4885TP53 2996/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT GAA 161/4885SMN1; SMN2 1535/4885TP53 2996/4885

“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.