SCHEMBL229080

SCHEMBL229080

O=C(CC(SCc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HSP90AA1 P07900 1/20 0.53
THRB P10828 1/20 0.53
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
BCL2L1 Q07817 2/20 0.49
MCL1 Q07820 2/20 0.49
POLB P06746 4/20 0.48
PDPK1 O15530 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MMP2 P08253 3/20 0.45
MMP3 P08254 3/20 0.45
MMP9 P14780 3/20 0.45
MMP13 P45452 2/20 0.45

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
SCHEMBL229843 0.88 ALDH1A1 (0.70) ALDH1A1MAPTLMNANPSR1HSP90AA1
SCHEMBL727061 0.83 TSHR (0.53) ALDH1A1MAPTLMNANPSR1CYP2C19
SCHEMBL2163743 0.82 PDPK1 (0.49) ALDH1A1MAPTLMNANPSR1HSP90AA1
SCHEMBL3678664 0.78 ALDH1A1 (0.80) ALDH1A1MAPTLMNANPSR1HSP90AA1
SCHEMBL10917842 0.77 ALDH1A1 (0.61) ALDH1A1MAPTLMNANPSR1HSP90AA1
SCHEMBL728401 0.76 NPC1 (0.56) ALDH1A1MAPTCYP2C19CYP2C9POLB
SCHEMBL728174 0.76 MAPT (0.71) ALDH1A1MAPTLMNANPSR1HSP90AA1
SCHEMBL10897841 0.75 KMO (0.45) ALDH1A1MAPTLMNANPSR1CYP2C19
SCHEMBL19642630 0.75 GSK3B (0.61) ALDH1A1MAPTLMNANPSR1HSP90AA1
SCHEMBL9659013 0.74 TDP1 (0.47) ALDH1A1CYP2C19CYP2C9POLBSMN1; SMN2

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 2 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
US-20120003168-A1 Topical Lightening Composition and Uses Thereof AVON PRODUCTS, INC. (US) 2012-01-05 US 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 129/4885MAPT 793/4885LMNA 4337/4885

“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.