SCHEMBL3661269

SCHEMBL3661269

COc1cc(OCCCC(=O)O)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 2/20 0.50
PLA2G2A P14555 1/20 0.48
FFAR1 O14842 4/20 0.48
FFAR4 Q5NUL3 3/20 0.48
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
TSHR P16473 1/20 0.47
DHFR P00374 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
PPARD Q03181 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL21098685 0.90 CYSLTR2 (0.53) THRATHRBFFAR1FFAR4PPARG
SCHEMBL1750021 0.88 PPARG (0.61) THRATHRBALDH1A1PLA2G2APPARG
SCHEMBL10459241 0.87 ALDH1A1 (0.51) THRATHRBALDH1A1PLA2G2APPARG
SCHEMBL10335441 0.86 LMNA (0.53) ALDH1A1FFAR1FFAR4PPARGPPARA
SCHEMBL5232380 0.85 ALDH1A1 (0.53) THRATHRBALDH1A1PLA2G2APPARG
SCHEMBL8902012 0.85 THRA (0.54) THRATHRBALDH1A1PLA2G2APPARG
SCHEMBL11775703 0.85 ALDH1A1 (0.53) THRATHRBALDH1A1PLA2G2APPARG
SCHEMBL11237589 0.84 THRA (0.67) THRATHRBPLA2G2APPARGPPARA
SCHEMBL12432167 0.84 THRA (0.67) THRATHRBPLA2G2APPARGPPARA
SCHEMBL7142492 0.84 TSHR (0.53) ALDH1A1FFAR1FFAR4PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364424-B2 Topical cosmetic skin lightening compositions and methods of use thereof STIEFEL LABORATORIES, INC. (US) 2016-06-14 US disclosed
US-20160074315-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. 2016-03-17 US disclosed
EP-2219600-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2010-08-25 EP disclosed
WO-2009067095-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2009-05-28 WO disclosed
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 US disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 EP 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-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC THRA 393/4885THRB 1517/4885ALDH1A1 2963/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR THRA 1421/4885THRB 2394/4885ALDH1A1 1854/4885

“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.