SCHEMBL12985387

SCHEMBL12985387

CCc1ccccc1C(=O)C(COC(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TSHR P16473 4/20 0.39
CLCN2 P51788 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
HPGD P15428 1/20 0.36
GGT1 P19440 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
BLM P54132 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL12984557 0.83 ALDH1A1 (0.42) ALDH1A1TSHRL3MBTL1HSD17B10KDM4E
SCHEMBL3494517 0.80 CLCN2 (0.40) ALDH1A1CLCN2KMT2AMEN1NPC1
SCHEMBL9650318 0.74 CYP2C19 (0.46) ALDH1A1CLCN2MAPTKMT2AMEN1
SCHEMBL8114342 0.74 CLCN2 (0.42) ALDH1A1TSHRCLCN2KMT2AMEN1
SCHEMBL10276952 0.73 CLCN2 (0.43) ALDH1A1TSHRCLCN2KMT2AMEN1
SCHEMBL12984351 0.72 TSHR (0.41) ALDH1A1TSHRL3MBTL1HSD17B10TDP1
Hydrogen Peroxide SCHEMBL11781319 0.70 CLCN2 (0.49) ALDH1A1TSHRCLCN2KDM4ELMNA
SCHEMBL18261395 0.70 TDP1 (0.46) ALDH1A1TSHRMAPTHSD17B10TDP1
SCHEMBL9649751 0.70 TSHR (0.42) ALDH1A1TSHRL3MBTL1HSD17B10TDP1
SCHEMBL3364147 0.70 CLCN2 (0.41) ALDH1A1TSHRCLCN2HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514402-B1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEM IND INC (JP) 2016-08-31 EP disclosed
US-9414998-B2 Preventing or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2016-08-16 US disclosed
US-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2014-10-30 US disclosed
EP-2514402-A1 PROPHYLACTIC OR AMELIORATING AGENT FO PIGMENTATION Pola Chemical Industries Inc. (JP) 2012-10-24 EP disclosed
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-10-11 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 (2 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-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF ALDH1A1 117/4885TSHR 1691/4885CLCN2 3075/4885
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF ALDH1A1 117/4885TSHR 1691/4885CLCN2 3075/4885

“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.