SCHEMBL2958752

SCHEMBL2958752

COC(=O)c1ccc(OCCC(C)CC(C)(C)C)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
PDK2 Q15119 1/20 0.48
PDK4 Q16654 1/20 0.48
EGFR P00533 3/20 0.47
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX5AP P20292 1/20 0.42
MAOB P27338 4/20 0.41
PPARD Q03181 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL4805729 0.90 EGFR (0.52) CA12CA1CA2CA7CA9
SCHEMBL8414526 0.88 PPARD (0.45) CA12CA1CA2CA7CA9
SCHEMBL10357944 0.81 MAPT (0.62) CA1CA2GAANPC1MAPK1
SCHEMBL2958253 0.80 ALOX15 (0.45) CA12CA1CA2CA7CA9
SCHEMBL4652524 0.80 EGFR (0.46) EGFRMAPK1POLB
SCHEMBL13298039 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL6363526 0.78 ADRB2 (0.40) PDK2EGFRGAANPC1MAPK1
SCHEMBL4566999 0.77 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL3900807 0.77 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL22438674 0.77 CA12 (0.60) CA12CA1CA2CA7CA9

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 14 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
EP-2116224-B1 COSMETIC COMPOSITION JNC CORP (JP) 2016-01-27 EP disclosed
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
WO-1996017589-A1 METHOD OF SMOOTHING OR REMOVING WRINKLES AND METHOD OF STIMULATING COLLAGEN SYNTHESIS KAO CORPORATION (JP) 1996-06-13 WO 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.