SCHEMBL229513

SCHEMBL229513

O=C(CC(SC1CCCCC1)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.63
MCL1 Q07820 2/20 0.63
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.49
THRB P10828 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.42
MMP2 P08253 3/20 0.41
MMP3 P08254 3/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 2/20 0.41
MMP1 P03956 1/20 0.41
MMP8 P22894 1/20 0.41
PDPK1 O15530 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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 0.87 BCL2L1 (0.48) BCL2L1MCL1ALDH1A1LMNAMAPT
SCHEMBL230940 0.83 ALDH1A1 (0.56) BCL2L1MCL1ALDH1A1LMNAMAPT
SCHEMBL728368 0.83 ALDH1A1 (0.49) BCL2L1MCL1ALDH1A1LMNAMAPT
SCHEMBL3678664 0.74 ALDH1A1 (0.80) BCL2L1MCL1ALDH1A1LMNAMAPT
SCHEMBL728360 0.73 KMT2A (0.55) BCL2L1MCL1ALDH1A1NPSR1POLB
SCHEMBL10917842 0.73 ALDH1A1 (0.61) BCL2L1MCL1ALDH1A1LMNAMAPT
SCHEMBL728174 0.71 MAPT (0.71) BCL2L1MCL1ALDH1A1LMNAMAPT
SCHEMBL229080 0.71 ALDH1A1 (0.53) BCL2L1MCL1ALDH1A1LMNAMAPT
SCHEMBL1565903 0.71 HPGD (0.40) BCL2L1MCL1ALDH1A1MAPTPOLB
SCHEMBL19642630 0.70 GSK3B (0.61) ALDH1A1LMNAMAPTHSP90AA1THRB

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 6 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
US-8329149-B2 Topical lightening composition and uses thereof AVON PRODUCTS, INC. (US) 2012-12-11 US disclosed
US-20120003168-A1 Topical Lightening Composition and Uses Thereof AVON PRODUCTS, INC. (US) 2012-01-05 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 (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 BCL2L1 4104/4885MCL1 3280/4885ALDH1A1 129/4885

“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.