SCHEMBL4959475

SCHEMBL4959475

CC(=O)Nc1cccc(NC(C)=O)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HPGD P15428 3/20 0.59
POLB P06746 2/20 0.52
CYP2C19 P33261 1/20 0.52
MAOA P21397 1/20 0.52
HSD17B10 Q99714 3/20 0.51
MAPK1 P28482 2/20 0.51
ALOX15 P16050 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
CYP1A2 P05177 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAPRT Q6XQN6 1/20 0.48

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
SCHEMBL19004112 0.89 ALDH1A1 (0.53) ALDH1A1HPGDPOLBCYP2C19MAOA
SCHEMBL6697979 0.87 ALDH1A1 (0.68) ALDH1A1HPGDPOLBCYP2C19MAOA
SCHEMBL7455097 0.86 ALDH1A1 (0.50) ALDH1A1HPGDPOLBCYP2C19MAOA
SCHEMBL9814082 0.86 ALDH1A1 (0.50) ALDH1A1HPGDPOLBCYP2C19MAOA
SCHEMBL6379676 0.86 ALDH1A1 (0.50) ALDH1A1HPGDPOLBCYP2C19MAOA
SCHEMBL23705971 0.86 RXFP1 (0.51) ALDH1A1HPGDPOLBCYP2C19MAOA
SCHEMBL909725 0.86 HSD17B10 (0.56) ALDH1A1HPGDPOLBCYP2C19MAOA
SCHEMBL7573299 0.85 KEAP1 (0.47) ALDH1A1HPGDMAOAHSD17B10MAPK1
SCHEMBL4290828 0.84 KDM4E (0.59) ALDH1A1HPGDPOLBCYP2C19HSD17B10
SCHEMBL894764 0.82 SIRT2 (0.55) ALDH1A1HPGDPOLBCYP2C19HSD17B10

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 12 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-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-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 ALDH1A1 1045/4885HPGD 1611/4885POLB 157/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT ALDH1A1 466/4885HPGD 2662/4885POLB 867/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 ALDH1A1 1632/4885HPGD 903/4885POLB 434/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 ALDH1A1 67/4885HPGD 795/4885POLB 2689/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH ALDH1A1 1689/4885HPGD 2899/4885POLB 470/4885

“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.