SCHEMBL230940

SCHEMBL230940

CC(C)(C)c1ccc(C(=O)CC(SC2CCCCC2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 3/20 0.55
HSP90AA1 P07900 1/20 0.55
THRB P10828 1/20 0.55
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
RAB9A P51151 3/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.40
APAF1 O14727 1/20 0.40
MEN1 O00255 2/20 0.39
GRIN2C Q14957 1/20 0.39
RECQL P46063 2/20 0.39
ATM Q13315 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL727047 0.84 BCL2L1 (0.48) ALDH1A1MAPTLMNAHSP90AA1BCL2L1
SCHEMBL229513 0.83 BCL2L1 (0.63) ALDH1A1MAPTNPSR1LMNAHSP90AA1
SCHEMBL728368 0.82 ALDH1A1 (0.49) ALDH1A1MAPTLMNABCL2L1MCL1
SCHEMBL17549662 0.75 MEN1 (0.47) ALDH1A1MAPTNPSR1LMNAHSP90AA1
SCHEMBL728360 0.72 KMT2A (0.55) ALDH1A1NPSR1BCL2L1MCL1RAB9A
SCHEMBL225008 0.71 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1LMNAHSP90AA1
SCHEMBL11204474 0.70 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1LMNAHSP90AA1
SCHEMBL17549634 0.70 HSD17B10 (0.52) ALDH1A1MAPTNPSR1LMNAHSP90AA1
SCHEMBL8536624 0.69 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1LMNAHSP90AA1
SCHEMBL29333092 0.69 RAB9A (0.61) ALDH1A1MAPTLMNARAB9AHPGD

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 129/4885MAPT 793/4885NPSR1 4444/4885

“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.