SCHEMBL4958874

SCHEMBL4958874

O=C1OC(=O)c2c(Cl)ccc3cccc1c23

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 10/20 0.62
ALDH1A1 P00352 2/20 0.41
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
MCL1 Q07820 1/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHFR P00374 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 1/20 0.37
CYP3A4 P08684 1/20 0.36
PABPC1 P11940 1/20 0.36
DNMT1 P26358 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
SCHEMBL10771124 0.79 TYMS (0.53) TYMSCES1ALOX15TDP1DHFR
SCHEMBL7706714 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL322393 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL30568054 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL29937612 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL6289874 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL4960210 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL4960179 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL22580735 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL7750777 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110198967-A Poly (arylene ether) ether sulfone containing naphthalic anhydride end group 巴斯夫欧洲公司 2019-09-03 CN claimed
CN-110198967-A Poly (arylene ether) ether sulfone containing naphthalic anhydride end group 巴斯夫欧洲公司 2019-09-03 CN 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
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
CN-101501144-B Polyhedral oligomeric silsesquioxane (POSS) based fluorescent colorants CIBA HOLDING INC 2013-06-19 CN 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-2006105193-A2 PERSONAL CARE 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-2006105261-A1 CLEANSING 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-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 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 4072/4885ALDH1A1 1045/4885CES2 3793/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT TYMS 884/4885ALDH1A1 466/4885CES2 67/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 TYMS 953/4885ALDH1A1 1632/4885CES2 4123/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 TYMS 2967/4885ALDH1A1 67/4885CES2 286/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH TYMS 4483/4885ALDH1A1 1689/4885CES2 212/4885

“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.