SCHEMBL2345285

SCHEMBL2345285

Cc1cccc(/C=C/[C]=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.53
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX5 P09917 1/20 0.50
TP53 P04637 1/20 0.50
RELA Q04206 2/20 0.49
NPC1 O15118 4/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ACHE P22303 1/20 0.42
NR1H3 Q13133 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2345287 1.00 FBP1 (0.53) FBP1PTGS1PTGS2TDP1ALOX5
SCHEMBL21847980 0.80 PTGS1 (0.69) FBP1PTGS1PTGS2TDP1ALOX5
SCHEMBL1795132 0.80 PTGS1 (0.69) FBP1PTGS1PTGS2TDP1ALOX5
SCHEMBL1795130 0.80 PTGS1 (0.69) FBP1PTGS1PTGS2TDP1ALOX5
SCHEMBL5164988 0.80 ENPP2 (0.56) FBP1PTGS1PTGS2TDP1ALOX5
SCHEMBL5164991 0.80 ENPP2 (0.56) FBP1PTGS1PTGS2TDP1ALOX5
SCHEMBL23457950 0.76 TP53 (0.60) FBP1PTGS1PTGS2TDP1ALOX5
SCHEMBL29673932 0.76 RELA (0.74) FBP1PTGS1PTGS2TDP1ALOX5
SCHEMBL29862171 0.76 TP53 (0.60) FBP1PTGS1PTGS2TDP1ALOX5
SCHEMBL1179749 0.76 RELA (0.74) FBP1PTGS1PTGS2TDP1ALOX5

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
EP-2257297-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION MIMETICA PTY LTD (AU) 2017-10-18 EP disclosed
US-9340517-B2 Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor MIMETICA PTY LTD (AU) 2016-05-17 US disclosed
EP-2257534-B1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2013-11-06 EP disclosed
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2013-08-29 US disclosed
US-8377925-B2 Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor MIMETICA PTY LTD (AU) 2013-02-19 US disclosed
US-8343958-B2 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5-receptor antagonists MIMETICA PTY LTD (AU) 2013-01-01 US disclosed
US-20110263572-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5-RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2011-10-27 US disclosed
US-8008291-B2 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5 receptor antagonists MIMETICA PTY LTD (AU) 2011-08-30 US disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US disclosed
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 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 (4 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-20110263572-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5-RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R FBP1 4579/4885PTGS1 983/4885PTGS2 1168/4885
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R FBP1 4501/4885PTGS1 472/4885PTGS2 573/4885
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R FBP1 4501/4885PTGS1 472/4885PTGS2 573/4885
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R FBP1 4582/4885PTGS1 957/4885PTGS2 1151/4885

“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.