SCHEMBL4653723

SCHEMBL4653723

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MAPK1 P28482 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2965158 0.91 LMNA (0.55) LMNAALDH1A1CA2CYP3A4MAPK1
SCHEMBL4653494 0.88 LMNA (0.53) LMNAALDH1A1CA2CYP3A4MAPK1
SCHEMBL8982619 0.86 ALDH1A1 (0.51) LMNAALDH1A1CA2CYP3A4MAPK1
SCHEMBL12587312 0.83 CA12 (0.56) CA2CA12CA1CA7CA9
SCHEMBL4653551 0.81 LMNA (0.51) LMNAALDH1A1CA2CYP3A4MAPK1
SCHEMBL5469285 0.81 ALDH1A1 (0.55) LMNAALDH1A1CA2CYP3A4MAPK1
SCHEMBL4653975 0.80 LMNA (0.50) LMNAALDH1A1CA2CYP3A4MAPK1
SCHEMBL4654546 0.80 LMNA (0.47) LMNAALDH1A1CA2CYP3A4MAPK1
SCHEMBL9324741 0.79 MAOA (0.59) CA2TSHRCA12CA1CA7
SCHEMBL17912870 0.79 LMNA (0.45) LMNAALDH1A1CA2CYP3A4MAPK1

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 2112/4885ALDH1A1 2963/4885CA2 1115/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR LMNA 142/4885ALDH1A1 1854/4885CA2 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.

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