SCHEMBL1313610

SCHEMBL1313610

Cc1ccccc1-c1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
DRD1 P21728 3/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50
CYP2A6 P11509 4/20 0.48
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MCL1 Q07820 1/20 0.42
BRD4 O60885 1/20 0.41
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
GRIA1 P42261 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
SCHEMBL29438438 1.00 CA12 (0.52) CA12CA1CA2CA9DRD1
SCHEMBL1666926 0.84 DRD1 (0.60) DRD1DRD2DRD4DRD5DRD3
SCHEMBL5964342 0.84 CYP2A6 (0.45) CA12CA1CA2CA9DRD1
SCHEMBL29733602 0.82 DRD1 (0.58) DRD1DRD2DRD4DRD5DRD3
SCHEMBL29733609 0.82 DRD1 (0.58) DRD1DRD2DRD4DRD5DRD3
SCHEMBL29551674 0.82 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL3633054 0.82 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL23198145 0.81 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL7876591 0.81 CA12 (0.48) CA12CA1CA2CA9CYP2A6
SCHEMBL35966 0.80 ALDH1A1 (0.59) DRD1DRD2DRD4DRD5DRD3

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102681344-A Photosensitive resin composition, low dielectric constant light shielding layer and liquid crystal display apparatus using the same ROHM & HAAS ELECT MAT 2012-09-19 CN claimed
EP-1392643-B1 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LAB (US) 2005-09-14 EP claimed
US-6831193-B2 Treating pain, urinary incontinence and bladder overactivity; P2X receptors are cation-permeable ion channels ABBOTT LABORATORIES 2004-12-14 US claimed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 US claimed
CN-118666841-A Indole-tetramic acid compound, preparation and medical application thereof 中国医学科学院药物研究所 2024-09-20 CN disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
CN-101134800-B Pigment dispensing composition, optical solidified composition, color filter and manufacturing method thereof FUJI PHOTO FILM CO LTD 2013-05-29 CN disclosed
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
CN-102681344-A Photosensitive resin composition, low dielectric constant light shielding layer and liquid crystal display apparatus using the same ROHM & HAAS ELECT MAT 2012-09-19 CN disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 EP disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 WO disclosed
US-4254035-A BY REACTING GLYCINE AND AN AROMATIC ALDEHYDE IN THE PRESENCE OF ACETIC ANHYDRIDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-03-03 US disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 US disclosed
US-3932463-A BRONCHODILATORS, GASTRIC ACID SECRETION INHIBITORS AMERICAN CYANAMID COMPANY (US) 1976-01-13 US 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY CA12 4154/4885CA1 3574/4885CA2 3053/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 CA12 4169/4885CA1 2300/4885CA2 380/4885

“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.