SCHEMBL3069772

SCHEMBL3069772

CCSCc1ccccc1CSCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
ACHE P22303 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16943934 0.93 GABRA1 (0.41) CYP1A2CYP2C9CYP2C19ACHEALDH1A1
SCHEMBL3149248 0.89 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19ACHEALDH1A1
SCHEMBL20734748 0.87 ALOX5AP (0.43) CYP1A2CYP2C9CYP2C19ACHEALDH1A1
SCHEMBL8821218 0.85 ALDH1A1 (0.47) ALDH1A1MAPTGAAMEN1THRB
SCHEMBL776334 0.84 SMN1; SMN2 (0.46) ALDH1A1KDM4EALOX5APFEN1MEN1
SCHEMBL8422000 0.84 TAAR1 (0.43) CYP1A2CYP2C9CYP2C19ACHEALDH1A1
SCHEMBL9511130 0.84 HSPA5 (0.50) KDM4ECYP2D6
SCHEMBL7992841 0.84 POLB (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL4753818 0.84 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL8821215 0.84 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19ACHEALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993983-B2 Cyclic peptide epitopes and small-molecule mimics for inducing autophagy TRUSTEES OF TUFTS COLLEGE (US) 2021-05-04 US disclosed
US-20200255478-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY ALMIRALL SA (ES) 2020-08-13 US disclosed
WO-2019030298-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY ALMIRALL, S.A. (ES) 2019-02-14 WO disclosed
WO-2017161274-A1 CYCLIC PEPTIDE EPITOPES AND SMALL-MOLECULE MIMICS FOR INDUCING AUTOPHAGY TRUSTEES OF TUFTS COLLEGE (US) 2017-09-21 WO disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 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 (2 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-10993983-B2 Cyclic peptide epitopes and small-molecule mimics for inducing autophagy BECN1, SQSTM1, ATG7 CYP1A2 4866/4885CYP2C9 4849/4885CYP2C19 4734/4885
US-20200255478-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY KEAP1, NFE2L2, HMOX1 CYP1A2 2291/4885CYP2C9 3408/4885CYP2C19 4101/4885

“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.