SCHEMBL4963591

SCHEMBL4963591

CCc1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.58
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 2/20 0.40
S100A4 P26447 1/20 0.40
IAPP P10997 3/20 0.39
ANPEP P15144 1/20 0.38
DPP4 P27487 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.37
DAO P14920 2/20 0.37
DDO Q99489 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL31395812 1.00 GPR35 (0.58) GPR35GABRA1GABRB2ALDH1A1TDP1
SCHEMBL28671609 0.87 GPR35 (0.53) GPR35GABRA1GABRB2ALDH1A1TDP1
SCHEMBL30818240 0.87 GPR35 (0.53) GPR35GABRA1GABRB2ALDH1A1TDP1
SCHEMBL10944668 0.86 TDP1 (0.54) GPR35GABRA1GABRB2ALDH1A1TDP1
SCHEMBL9491013 0.85 GPR35 (0.58) GPR35ALDH1A1TDP1TSHRS100A4
SCHEMBL31014199 0.85 GPR35 (0.58) GPR35ALDH1A1TDP1TSHRS100A4
SCHEMBL27491325 0.84 GPR35 (0.50) GPR35IAPPMAPTALOX15
SCHEMBL29467784 0.84 GPR35 (0.50) GPR35IAPPMAPTALOX15
SCHEMBL28465048 0.83 BID (0.54) GPR35IAPPMAPTALOX15
SCHEMBL5281894 0.83 GPR35 (0.56) GPR35ALDH1A1TDP1TSHRS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113826799-A Diet food 山东森健生物科技发展有限公司 2021-12-24 CN disclosed
US-9499528-B2 Class of near infrared molecular probes for biological applications THE UNIVERSITY OF AKRON (US) 2016-11-22 US disclosed
WO-2015013456-A1 INDICATOR COMPOUNDS, POLYMERIZABLE DERIVATIVES THEREOF AND INFECTION INDICATING MEDICAL DEVICES COMPRISING THE SAME INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-01-29 WO disclosed
US-20140303376-A1 CLASS OF NEAR INFRARED MOLECULAR PROBES FOR BIOLOGICAL APPLICATIONS THE UNIVERSITY OF AKRON 2014-10-09 US disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
EP-1227805-B2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2011-02-23 EP disclosed
EP-1871844-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C Technologies LLC (US) 2008-01-02 EP disclosed
WO-2007008389-A2 USE OF COLOR CHANGING INDICATORS IN CONSUMER PRODUCTS C2C TECHNOLOGIES LLC (US) 2007-01-18 WO disclosed
US-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 US disclosed
US-20060257439-A1 Cleansing compositions with color changing indicator CRAYOLA LLC 2006-11-16 US disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
US-5563169-A INHIBITORS OF ACYLCOENZYME A:CHOLESTEROL TRANSFERASE, FOR TREATMENT AND/OR PREVENTION OF ATHEROSCLEROSIS SANKYO COMPANY, LIMITED (JP) 1996-10-08 US disclosed
EP-0636619-A1 TRICYCLIC HETEROCYCLIC COMPOUND SANKYO COMPANY LIMITED (JP) 1995-02-01 EP 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 (4 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR GPR35 286/4885GABRA1 1071/4885GABRB2 1642/4885
US-20140303376-A1 CLASS OF NEAR INFRARED MOLECULAR PROBES FOR BIOLOGICAL APPLICATIONS ZKSCAN2, ZRANB2, ZNF787 GPR35 2571/4885GABRA1 455/4885GABRB2 199/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT GPR35 4468/4885GABRA1 4221/4885GABRB2 4177/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 GPR35 2752/4885GABRA1 667/4885GABRB2 725/4885

“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.