SCHEMBL3660001

SCHEMBL3660001

O=C(O)CCCOc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.57
ALB P02768 1/20 0.50
CA12 O43570 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TSHR P16473 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOB P27338 8/20 0.49
XDH P47989 1/20 0.46
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 3/20 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
SCHEMBL3659639 0.94 ALB (0.58) PPARDALBMAOBXDH
SCHEMBL3658180 0.94 ALB (0.58) PPARDALBMAOBXDH
SCHEMBL21052036 0.88 PPARD (0.74) PPARDALDH1A1MAOB
SCHEMBL3655650 0.87 MCL1 (0.53) PPARDALBCA12CA1CA2
SCHEMBL15787044 0.87 ALDH1A1 (0.50) PPARDALBALDH1A1TSHRFFAR1
SCHEMBL3904366 0.85 CA12 (0.52) PPARDCA12ALDH1A1CA1CA2
SCHEMBL11044502 0.85 PPARD (0.55) PPARDCA12ALDH1A1CA1CA2
SCHEMBL538636 0.85 PPARD (0.58) PPARDTSHRMAOB
SCHEMBL3658911 0.84 PPARD (0.54) PPARDCA12ALDH1A1CA1CA2
SCHEMBL11454147 0.84 PPARD (0.61) PPARDCA12ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7330569-A None JP disclosed
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
JP-H07330569-A BEAUTIFYING COSMETIC KAO CORP 1995-12-19 JP 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 PPARD 1782/4885ALB 388/4885CA12 1711/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR PPARD 1840/4885ALB 2719/4885CA12 2897/4885

“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.