SCHEMBL4708586

SCHEMBL4708586

CC(=O)c1ccc(O)cc1O.CC(=O)c1ccc(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.67
ALDH1A1 P00352 4/20 0.64
HPGD P15428 3/20 0.64
CYP3A4 P08684 2/20 0.64
MAPK1 P28482 1/20 0.64
CA12 O43570 4/20 0.64
CA1 P00915 4/20 0.64
CA2 P00918 4/20 0.64
CA7 P43166 4/20 0.64
CA9 Q16790 4/20 0.64
CA14 Q9ULX7 4/20 0.64
TSHR P16473 1/20 0.64
HSP90AB1 P08238 1/20 0.61
PDK2 Q15119 1/20 0.61
PDK4 Q16654 1/20 0.61
GFER P55789 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SERPINE1 P05121 1/20 0.53
USP2 O75604 1/20 0.53

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
SCHEMBL26357 1.00 CES2 (0.67) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL29443437 1.00 CES2 (0.67) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL29443438 1.00 CES2 (0.67) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL2985228 0.98 CES2 (0.64) CES2ALDH1A1HPGDCYP3A4MAPK1
Formaldehyde SCHEMBL27610922 0.96 CES2 (0.61) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL8170161 0.92 CES2 (0.57) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL9036271 0.87 THRB (0.64) CES2ALDH1A1HPGDCYP3A4MAPK1
Acetophenone SCHEMBL11254057 0.87 KMT2A (0.66) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL16520525 0.83 ALDH1A1 (0.55) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL14676003 0.82 CES2 (0.75) CES2ALDH1A1HPGDCYP3A4MAPK1

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 7 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-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 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 CES2 4498/4885ALDH1A1 2963/4885HPGD 3285/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR CES2 547/4885ALDH1A1 1854/4885HPGD 2744/4885

“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.