SCHEMBL3740188

SCHEMBL3740188

C1=CC(c2ccccc2)C=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 8/20 0.37
MAOA P21397 7/20 0.37
KDM1A O60341 5/20 0.37
CYP2C19 P33261 5/20 0.37
CYP2B6 P20813 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
SLC6A2 P23975 2/20 0.37
ADRA1A P35348 2/20 0.37
SLC6A3 Q01959 2/20 0.37
LMNA P02545 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2A6 P11509 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL4356377 0.80 RECQL (0.42) RECQLTSHRMAOBMAOAKDM1A
SCHEMBL10557917 0.75 CYP1A2 (0.42) RECQLTSHRCYP2C19CYP1A2CYP2D6
SCHEMBL21360003 0.75 ESR2 (0.40) RECQLKDM1ACYP2C9LMNACYP3A4
SCHEMBL4349198 0.75 MAPT (0.39) KDM1ACYP2C19CYP1A2CYP2C9CYP3A4
SCHEMBL7774927 0.75 RECQL (0.39) RECQLTSHRMAOBMAOAKDM1A
SCHEMBL21358187 0.73 CA12 (0.42) LMNACYP3A4HTR2CDRD3HSD17B10
SCHEMBL21358312 0.73 HTR2A (0.42) MAOBMAOAKDM1ASLC6A2SLC6A3
SCHEMBL21360103 0.73 CYP3A4 (0.42) RECQLTSHRMAOBMAOALMNA
SCHEMBL11320221 0.72 RECQL (0.37) RECQLTSHRMAOBMAOAKDM1A
Methylamine SCHEMBL4256041 0.72 CYP1A2 (0.44) RECQLMAOBMAOAKDM1ACYP2C19

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60190756-A None JP disclosed
US-9689025-B2 Nucleic acid element for use in analysis, and analytical method, analytical reagent, and analytical instrument using same NEC SOLUTION INNOVATORS, LTD. (JP) 2017-06-27 US disclosed
EP-2772761-A2 Nucleic acid element for use in analysis, and analytical method, analytical reagent and analytical instrument using same NEC Soft, Ltd. (JP) 2014-09-03 EP disclosed
US-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20120202195-A1 NUCLEIC ACID ELEMENT FOR USE IN ANALYSIS, AND ANALYTICAL METHOD, ANALYTICAL REAGENT, AND ANALYTICAL INSTRUMENT USING SAME NEC SOFT, LTD. (JP) 2012-08-09 US disclosed
EP-2463660-A1 NUCLEIC ACID ELEMENT FOR USE IN ANALYSIS, AND ANALYTICAL METHOD, ANALYTICAL REAGENT AND ANALYTICAL INSTRUMENT USING SAME NEC Soft, Ltd. (JP) 2012-06-13 EP disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed
US-20100291236-A1 OSMIUM COMPOUNDS THE UNIVERSITY OF WARWICK (GB) 2010-11-18 US disclosed
WO-2009142094-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-26 WO disclosed
EP-2054425-A1 OSMIUM COMPOUNDS The University Of Warwick (GB) 2009-05-06 EP disclosed
WO-2008017855-A1 OSMIUM COMPOUNDS THE UNIVERSITY OF WARWICK (GB) 2008-02-14 WO disclosed
US-6979681-B2 Half-sandwich ruthenium (II) compounds comprising nitrogen containing ligands for treatment of cancer UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH (GB) 2005-12-27 US disclosed
US-20050239765-A1 Half-sandwich ruthenium (II) compounds comprising nitrogen containing ligands for treatment of cancer UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH, A UNITED KINGDOM CORPORATION 2005-10-27 US disclosed
EP-1224192-B1 HALF-SANDWICH RUTHENIUM (II) COMPOUNDS COMPRISING NITROGEN CONTAINING LIGANDS FOR TREATMENT OF CANCER UNIV COURT THE UNIVERSITY OF E (GB) 2005-08-31 EP disclosed
US-20040220166-A1 Half-sandwich ruthenium (II) compounds comprising nitrogen containing ligands ligands for treatment of cancer University Court 2004-11-04 US disclosed
US-6750251-B2 TO PRODUCE MEDICAMENT FOR THERAPY AND PROPHYLAXIS OF CANCER THE UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH (UK) (GB) 2004-06-15 US disclosed
US-20030023088-A1 Half-sandwich ruthenium (II) compounds comprising nitrogen containing ligands for treatment of cancer UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH (UK), THE (GB) 2003-01-30 US disclosed
JP-S60190756-A PRODUCTION OF 1,7-DI(4-HYDROXYPHENYLTHIO)-3,5-DIOXAHEPTANE RICOH CO LTD 1985-09-28 JP disclosed
EP-0022081-B1 POLYMERISABLE COMPOSITIONS CONTAINING SULPHOXONIUM SALTS AND PROCESS FOR THE PRODUCTION OF HIGH MOLECULAR WEIGHT PRODUCTS FROM THESE COMPOSITIONS BY IRRADIATION CIBA-GEIGY AG (CH) 1983-02-09 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-20050239765-A1 Half-sandwich ruthenium (II) compounds comprising nitrogen containing ligands for treatment of cancer NR0B1, NR0B2, NCOR1 RECQL 998/4885TSHR 53/4885MAOB 3919/4885
US-20100291236-A1 OSMIUM COMPOUNDS OGFR, OGFRL1, AQP1 RECQL 3811/4885TSHR 2144/4885MAOB 2157/4885
US-20030023088-A1 Half-sandwich ruthenium (II) compounds comprising nitrogen containing ligands for treatment of cancer NR0B1, CBR1, NR0B2 RECQL 429/4885TSHR 424/4885MAOB 1364/4885
US-20040220166-A1 Half-sandwich ruthenium (II) compounds comprising nitrogen containing ligands ligands for treatment of cancer NR0B1, NR0B2, NR4A1 RECQL 483/4885TSHR 195/4885MAOB 3136/4885

“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.