SCHEMBL2964664

SCHEMBL2964664

COC(=O)c1ccc(OCC2CCCCC2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.60
PARP15 Q460N3 7/20 0.60
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK4 Q16654 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
ALDH1A1 P00352 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ADAM17 P78536 2/20 0.45
PARP2 Q9UGN5 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL8903105 0.93 CA12 (0.55) PARP10PARP15CA12CA1CA2
SCHEMBL2957475 0.87 CA12 (0.49) PARP10PARP15CA12CA1CA2
SCHEMBL5085580 0.86 PARP10 (0.60) PARP10PARP15ALDH1A1MAOAMAOB
SCHEMBL4653952 0.85 PARP10 (0.60) PARP10PARP15CA12CA1CA2
SCHEMBL4441810 0.80 CA12 (0.53) CA12CA1CA2CA7PDK2
SCHEMBL7911253 0.80 PARP10 (0.56) PARP10PARP15ALDH1A1MAOB
SCHEMBL7394538 0.80 GPR119 (0.52) ALDH1A1
SCHEMBL1854146 0.80 PARP10 (0.51) PARP10PARP15PARP2
SCHEMBL8902162 0.80 CA12 (0.55) CA12CA1CA2CA7PDK2
SCHEMBL4432577 0.80 PARP10 (0.46) PARP10PARP15CA12CA1CA2

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 PARP10 760/4885PARP15 1333/4885CA12 1711/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR PARP10 1290/4885PARP15 1699/4885CA12 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.