SCHEMBL4959476

SCHEMBL4959476

CC(=O)Nc1cccc(O)c1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
PLK1 P53350 1/20 0.50
PLK3 Q9H4B4 1/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.47
APOBEC3A P31941 1/20 0.47
GFER P55789 1/20 0.47
HDAC1 Q13547 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
POLB P06746 2/20 0.47
CYP2C19 P33261 1/20 0.47
LPAR2 Q9HBW0 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46

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
SCHEMBL8655706 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2624008 0.81 HPGD (0.63) ALDH1A1HPGDKDM4EPOLBCYP2C19
SCHEMBL11593694 0.81 POLB (0.56) ALDH1A1HPGDKDM4EPOLBCYP2C19
SCHEMBL30346643 0.81 POLB (0.56) ALDH1A1HPGDKDM4EPOLBCYP2C19
SCHEMBL231956 0.81 BRD4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL15667994 0.81 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL14575994 0.80 ALDH1A1 (0.47) CA1CA2CA9ALDH1A1HPGD
SCHEMBL9377084 0.80 POLB (0.54) ALDH1A1HPGDKDM4EPOLBCYP2C19
SCHEMBL31488086 0.80 PBRM1 (0.57) PLK1ALDH1A1HPGDKDM4EPOLB
SCHEMBL6801278 0.80 PBRM1 (0.57) PLK1ALDH1A1HPGDKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US 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-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

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 CA12 2044/4885CA1 1814/4885CA2 253/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT CA12 15/4885CA1 139/4885CA2 30/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 CA12 38/4885CA1 70/4885CA2 29/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 CA12 16/4885CA1 208/4885CA2 7/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH CA12 997/4885CA1 1914/4885CA2 2888/4885

“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.