SCHEMBL229843

SCHEMBL229843

CCOc1ccc(C(=O)CC(SCc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
CYP2C19 P33261 3/20 0.70
POLB P06746 3/20 0.70
CYP2C9 P11712 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MAPT P10636 4/20 0.57
HTT P42858 2/20 0.57
RECQL P46063 1/20 0.57
LMNA P02545 2/20 0.46
HSP90AA1 P07900 1/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 2/20 0.44
KMT2A Q03164 2/20 0.44
NR4A2 P43354 1/20 0.44
NPC1 O15118 1/20 0.44
MAOA P21397 1/20 0.43
FFAR1 O14842 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL229080 0.88 ALDH1A1 (0.53) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL230158 0.83 ALDH1A1 (0.80) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL728401 0.77 NPC1 (0.56) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL2166193 0.74 ALDH1A1 (0.63) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL6202777 0.72 MAPT (0.64) ALDH1A1SMN1; SMN2MAPTLMNAMAOB
SCHEMBL727061 0.72 TSHR (0.53) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL11933966 0.72 ALDH1A1 (1.00) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL2163743 0.72 PDPK1 (0.49) ALDH1A1POLBMAPTLMNAHSP90AA1
SCHEMBL11022763 0.72 ALDH1A1 (0.54) ALDH1A1CYP2C19POLBCYP2C9MAPT
SCHEMBL728190 0.71 ALDH1A1 (0.70) ALDH1A1POLBMAPTHTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329149-B2 Topical lightening composition and uses thereof AVON PRODUCTS, INC. (US) 2012-12-11 US claimed
EP-2521558-A1 TOPICAL LIGHTENING COMPOSITION AND USES THEREOF Avon Products, Inc. (US) 2012-11-14 EP claimed
US-20120003168-A1 Topical Lightening Composition and Uses Thereof AVON PRODUCTS, INC. (US) 2012-01-05 US claimed
WO-2011082044-A1 TOPICAL LIGHTENING COMPOSITION AND USES THEREOF AVON PRODUCTS, INC. (US) 2011-07-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120003168-A1 Topical Lightening Composition and Uses Thereof TYR, AOC3, TH ALDH1A1 129/4885CYP2C19 1250/4885POLB 232/4885

“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.