SCHEMBL4654546

SCHEMBL4654546

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP3A4 P08684 3/20 0.45
▸ CA2 P00918 1/20 0.45
▸ KLKB1 P03952 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ PLAU P00749 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL4652325 0.90 LMNA (0.45) LMNATAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL2965158 0.85 LMNA (0.55) LMNATAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL4653551 0.85 LMNA (0.51) LMNATAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL4653975 0.84 LMNA (0.50) LMNATAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL4653971 0.83 LMNA (0.49) LMNATAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL22078938 0.80 LMNA (0.45) LMNATAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL29431903 0.80 HPGD (0.58) LMNAALDH1A1TSHRMAPK1CYP3A4
SCHEMBL534051 0.80 HPGD (0.58) LMNAALDH1A1TSHRMAPK1CYP3A4
SCHEMBL4653723 0.80 LMNA (0.54) LMNATAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL4653494 0.79 LMNA (0.53) LMNAALDH1A1TSHRMAPK1CYP3A4

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 2112/4885TAS1R3 112/4885TAS1R1 144/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR LMNA 142/4885TAS1R3 2718/4885TAS1R1 2119/4885

“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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