SCHEMBL4654797

SCHEMBL4654797

COc1cc(C(=O)O)ccc1OC/C=C(\C)CCC=C(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.69
PTGES O14684 7/20 0.65
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
NDUFS8 O00217 1/20 0.56
COXFA4 O00483 1/20 0.56
NDUFAB1 O14561 1/20 0.56
NDUFA1 O15239 1/20 0.56
NDUFS4 O43181 1/20 0.56
NDUFB5 O43674 1/20 0.56
NDUFB3 O43676 1/20 0.56

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
SCHEMBL4654798 1.00 MTNR1A (0.69) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL1586699 0.95 MTNR1A (0.62) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL1586697 0.95 MTNR1A (0.62) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL6650611 0.94 MTNR1A (0.60) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL6650602 0.94 MTNR1A (0.60) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL3089499 0.93 MTNR1A (0.58) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL3089501 0.93 MTNR1A (0.58) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL16692664 0.88 TSHR (0.66) MTNR1APTGESTSHRCA12CA1
SCHEMBL8203741 0.88 PTGES (0.54) MTNR1APTGESHDAC3HDAC4HDAC1
SCHEMBL28721046 0.87 PTGES (0.64) MTNR1APTGESHDAC3HDAC4HDAC1

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 23 patents — showing the first 20. 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-3097904-B1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN AFFICHEM (FR) 2019-08-14 EP disclosed
WO-2016193220-A1 SKIN PIGMENTATION MODIFIERS TO DARKEN OR LIGHTEN THE SKIN AFFICHEM (FR) 2016-12-08 WO disclosed
EP-3097904-A1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN Affichem (FR) 2016-11-30 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
US-6001880-A DISUBSTITUTED N-(2-DIALKYLAMINOETHYL)BENZAMIDE DERIVATIVES OF GIVEN FORMULA; ANTIBACTERIAL ACTIVITY AGAINST HELICOBACTER PYROLI, ADMINISTERING FOR THE PREVENTION OR CURE OF PEPTIC ULCERS SHISEIDO CO., LTD. (JP) 1999-12-14 US disclosed
EP-0643035-B1 DERMATOLOGIC PREPARATION AND NOVEL BENZOIC ACID DERIVATIVE KAO CORP (JP) 1999-09-01 EP disclosed
US-5925667-A INHIBITS GROWTH OF HELICOBACTER PYLORI SHISEIDO CO., LTD. (JP) 1999-07-20 US disclosed
EP-0875501-A2 Alkylenediamine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1998-11-04 EP disclosed
EP-0869118-A1 Pyrrolidine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1998-10-07 EP disclosed
US-5814634-A PEPTIC ULCERS, GASTRIC ULCERS SHISEIDO CO. LTD. (JP) 1998-09-29 US disclosed
EP-0802196-A1 Alkylenediamine derivative, antiulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1997-10-22 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 MTNR1A 1368/4885PTGES 3313/4885HDAC3 727/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR MTNR1A 3256/4885PTGES 3031/4885HDAC3 3046/4885

“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.