SCHEMBL2346044

SCHEMBL2346044

O=[C]c1ccc(-c2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.42
PKM P14618 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
NQO2 P16083 3/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2325827 0.79 KDM4E (0.52) ALDH1A1HPGDMAPTPKMPOLB
SCHEMBL2318469 0.79 ALDH1A1 (0.44) ALDH1A1HPGDCYP2C19MAPTPKM
SCHEMBL2322085 0.79 ALDH1A1 (0.44) ALDH1A1HPGDMAPTPKMPOLB
SCHEMBL11733368 0.78 ALDH1A1 (0.49) ALDH1A1HPGDCYP2E1CYP3A4CYP2D6
SCHEMBL2324206 0.77 SLC9A1 (0.48) ALDH1A1HPGDCYP3A4MAPTPKM
SCHEMBL2323643 0.77 CYP3A4 (0.57) ALDH1A1HPGDCYP2E1CYP3A4CYP2D6
SCHEMBL76097 0.75 CYP2E1 (0.58) ALDH1A1HPGDCYP2E1CYP3A4CYP2D6
SCHEMBL2320167 0.75 EGFR (0.51) ALDH1A1HPGDCYP3A4CYP2D6CYP2C9
SCHEMBL2318440 0.75 CYP1A1 (0.42) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL2359506 0.75 HDAC6 (0.42) MAPTMEN1LMNAKMT2ANPC1

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 21 patents — showing the first 20. 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
EP-2520575-B1 1,3,4-OXADIAZOLE-2-CARBOXAMIDE COMPOUND GEN INC ASS PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2016-11-30 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
EP-2520575-A1 1,3,4-OXADIAZOLE-2-CARBOXAMIDE COMPOUND General Incorporated Association Pharma Valley Project Supporting Organization (JP) 2012-11-07 EP 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-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS Marp Therapeutics Pty Ltd (AU) 2009-09-03 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-5114462-A Herbicides as plant growth regulators, phenoxypropionic acid esters and derivatives CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
US-5078780-A Plant safening agents for use with herbicides CIBA-GEIGY CORPORATION (US) 1992-01-07 US disclosed
EP-0268554-B1 1,5-DIPHENYL PYRAZOLE-3-CARBONIC-ACID DERIVATIVES FOR THE PROTECTION OF CULTURED PLANTS CIBA-GEIGY AG (CH) 1991-12-27 EP disclosed
US-4944790-A PLANT SAFENING AGENTS FOR USE WITH CERTAIN HERBICIDES CIBA-GEIGY CORPORATION (US) 1990-07-31 US disclosed
EP-0268554-A2 1,5-Diphenyl pyrazole-3-carbonic-acid derivatives for the protection of cultured plants CIBA-GEIGY AG (CH) 1988-05-25 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 (5 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 ALDH1A1 2430/4885HPGD 1715/4885CYP2E1 2629/4885
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R ALDH1A1 2828/4885HPGD 701/4885CYP2E1 2808/4885
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R ALDH1A1 2828/4885HPGD 701/4885CYP2E1 2808/4885
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R ALDH1A1 2040/4885HPGD 1712/4885CYP2E1 2319/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 ALDH1A1 14/4885HPGD 39/4885CYP2E1 72/4885

“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.