SCHEMBL4960932

SCHEMBL4960932

O=C1OC(=O)c2c1c(Cl)cc1ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.40
DHFR P00374 1/20 0.40
CES1 P23141 1/20 0.40
DNMT1 P26358 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 2/20 0.39
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
CDC25B P30305 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALOX5 P09917 1/20 0.38
GPR84 Q9NQS5 2/20 0.38
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL4958869 0.78 ALOX5 (0.43) TYMSCES1DNMT1ALOX5GPR84
SCHEMBL8735650 0.77 CYP1A2 (0.44) CES1CYP1A2CYP2A6ALOX5GPR84
SCHEMBL9038314 0.77 POLB (0.43) CES1ALOX5GPR84ALDH1A1PTGES
SCHEMBL3967192 0.77 ALDH1A1 (0.40) CES1DNMT1CYP1A2ALOX5GPR84
SCHEMBL600270 0.77 TRPM4 (0.50) TYMSDHFRCES1CYP1A2ALOX5
SCHEMBL6289873 0.77 CES1 (0.40) CES1DNMT1CYP1A2ALOX5GPR84
SCHEMBL4961115 0.77 CES1 (0.40) CES1DNMT1CYP1A2ALOX5GPR84
SCHEMBL4957625 0.77 AHR (0.42) CES1DNMT1CYP1A2CDC25BALOX5
SCHEMBL11043679 0.76 CYP1A1 (0.51) CES1DNMT1CYP1A2CDC25BGPR84
SCHEMBL6848266 0.76 CDK4 (0.42) CES1CYP1A2CYP2A6APAF1TDP2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 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
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 US 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
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-4582910-A Method for preparation of 4-halogenonaphthalic acid anhydrides RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1986-04-15 US disclosed
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 US disclosed
US-3940397-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-02-24 US disclosed
US-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 US 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR TYMS 4072/4885DHFR 2727/4885CES1 3506/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT TYMS 884/4885DHFR 261/4885CES1 1561/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 TYMS 953/4885DHFR 938/4885CES1 3387/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 TYMS 2967/4885DHFR 372/4885CES1 2024/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH TYMS 4483/4885DHFR 4738/4885CES1 3577/4885

“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.