SCHEMBL4017169

SCHEMBL4017169

O=C1CCCCc2ccc(F)cc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
PARP10 Q53GL7 1/20 0.53
MAOA P21397 8/20 0.48
MAOB P27338 8/20 0.48
CYP2A6 P11509 1/20 0.48
SRD5A1 P18405 1/20 0.46
PBRM1 Q86U86 1/20 0.46
ACHE P22303 1/20 0.44
PRKCI P41743 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TYMS P04818 2/20 0.41
MAPK14 Q16539 2/20 0.40
HSD17B1 P14061 1/20 0.39
NPY5R Q15761 1/20 0.38
FABP6 P51161 1/20 0.38

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
SCHEMBL769238 0.96 MAOA (0.53) PARP1PARP10MAOAMAOBCYP2A6
SCHEMBL29446042 0.96 MAOA (0.53) PARP1PARP10MAOAMAOBCYP2A6
SCHEMBL29443089 0.88 PBRM1 (0.59) PARP1PARP10SRD5A1PBRM1ACHE
SCHEMBL1150109 0.88 PBRM1 (0.59) PARP1PARP10SRD5A1PBRM1ACHE
SCHEMBL2585151 0.84 MAOA (0.59) MAOAMAOBCYP2A6SRD5A1PRKCI
SCHEMBL5211345 0.82 HSD17B1 (0.53) PARP1PARP10MAOAMAOBCYP2A6
SCHEMBL315877 0.80 MAOA (0.61) MAOAMAOBCYP2A6SRD5A1PRKCI
SCHEMBL6835462 0.78 PARP1 (0.44) PARP1PARP10MAOAMAOBCYP2A6
SCHEMBL6835460 0.78 PARP1 (0.44) PARP1PARP10MAOAMAOBCYP2A6
SCHEMBL16821225 0.78 PARP10 (0.50) PARP10MAOAMAOBCYP2A6PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9520574-B2 Electroluminescent devices based on phosphorescent iridium and related group VIII metal multicyclic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-12-13 US disclosed
US-9520574-B2 Electroluminescent devices based on phosphorescent iridium and related group VIII metal multicyclic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-12-13 US disclosed
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-04-04 US disclosed
US-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-04-04 US disclosed
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 US disclosed
WO-2011134013-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-03 WO disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed
US-6146811-A Photoresist using dioxaspiro ring-substituted acryl derivatives KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2000-11-14 US disclosed
CN-1193017-A Sulfamide-substituted condensed seven-membered ring chemical compound, use as medicine and medicinal preparation containing same HOECHST AG (DE) 1998-09-16 CN disclosed
EP-0861836-A1 Sulfonamido substituted condensed, seven-membered ring compounds with potassium channel blocking activity HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-02 EP disclosed
US-5494918-A ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-02-27 US disclosed
US-5385912-A Hypocholesterolemic or hypolipidemic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-01-31 US disclosed
EP-0601249-A1 Benzocycloheptene derivative and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1994-06-15 EP disclosed
US-5252589-A Inhibits contraction of urinary bladder TANABE SEIKAYU CO., LTD. (JP) 1993-10-12 US disclosed
WO-1992015579-A1 MULTICYCLIC TERTIARY AMINE POLYAROMATIC SQUALENE SYNTHETASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-09-17 WO 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 (3 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C PARP1 3065/4885PARP10 4194/4885MAOA 251/4885
US-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS ICOSLG, ETV6, ROS1 PARP1 536/4885PARP10 2300/4885MAOA 2542/4885
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 PARP1 1521/4885PARP10 2021/4885MAOA 21/4885

“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.