SCHEMBL2957475

SCHEMBL2957475

COC(=O)c1ccc(OCCC2CCCCC2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK4 Q16654 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
NFE2L2 Q16236 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAOB P27338 7/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4652569 0.90 NFE2L2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL17451421 0.88 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2964664 0.87 PARP10 (0.60) CA12CA1CA2CA7PDK2
SCHEMBL4654566 0.86 NFE2L2 (0.51) NFE2L2MAOBPARP10PTGESALOX5
SCHEMBL8903105 0.80 CA12 (0.55) CA12CA1CA2CA7PDK2
SCHEMBL25120301 0.79 RAB9A (0.51) NFE2L2ALDH1A1TDP1HPGDMEN1
SCHEMBL31055774 0.79 RAB9A (0.51) NFE2L2ALDH1A1TDP1HPGDMEN1
SCHEMBL4566999 0.78 CA12 (0.60) CA12CA1CA2CA7PDK2
SCHEMBL3900807 0.78 CA12 (0.60) CA12CA1CA2CA7PDK2
SCHEMBL22438674 0.78 CA12 (0.60) CA12CA1CA2CA7PDK2

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
US-5646184-A SEBACEOUS SECRETION INHIBITORY ACTIVITY KAO CORPORATION (JP) 1997-07-08 US claimed
US-20100055060-A1 COSMETIC COMPOSITION JNC CORPORATION (JP) 2010-03-04 US disclosed
EP-2116224-A1 COSMETIC COMPOSITION Chisso Corporation (JP) 2009-11-11 EP 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
EP-0643035-B1 DERMATOLOGIC PREPARATION AND NOVEL BENZOIC ACID DERIVATIVE KAO CORP (JP) 1999-09-01 EP disclosed
US-5646184-A SEBACEOUS SECRETION INHIBITORY ACTIVITY KAO CORPORATION (JP) 1997-07-08 US disclosed
EP-0643035-A1 DERMATOLOGIC PREPARATION AND NOVEL BENZOIC ACID DERIVATIVE Kao Corporation (JP) 1995-03-15 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 CA12 1711/4885CA1 1717/4885CA2 1115/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR CA12 2897/4885CA1 3616/4885CA2 2855/4885

“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.