SCHEMBL4653494

SCHEMBL4653494

CCCCC(CC)COc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ MCL1 Q07820 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ CA2 P00918 1/20 0.48
▸ MAPK1 P28482 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KAT8 Q9H7Z6 2/20 0.46
▸ PTPN11 Q06124 2/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ATM Q13315 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4653551 0.91 LMNA (0.51) LMNAMCL1ALDH1A1CYP3A4CA2
SCHEMBL4653975 0.90 LMNA (0.50) LMNAMCL1ALDH1A1CYP3A4CA2
SCHEMBL4653723 0.88 LMNA (0.54) LMNAMCL1ALDH1A1CYP3A4CA2
SCHEMBL8982595 0.86 ALDH1A1 (0.50) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL5469281 0.85 ALDH1A1 (0.52) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL12436446 0.82 PPARG (0.50) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL1576849 0.82 MCL1 (0.69) MCL1TSHRKAT8PTPN11
SCHEMBL29623897 0.82 MCL1 (0.69) MCL1TSHRKAT8PTPN11
SCHEMBL17912870 0.81 LMNA (0.45) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL4653971 0.81 LMNA (0.49) LMNAALDH1A1CYP3A4CA2MAPK1

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 11 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-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 LMNA 2112/4885MCL1 3130/4885ALDH1A1 2963/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR LMNA 142/4885MCL1 3191/4885ALDH1A1 1854/4885

“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.

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