SCHEMBL349601

SCHEMBL349601

O=[C]Cc1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
AGXT P21549 1/20 0.53
HTR2B P41595 2/20 0.45
HTR1A P08908 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP2A6 P11509 2/20 0.44
FLT3 P36888 1/20 0.44
CYP19A1 P11511 1/20 0.44
TYR P14679 1/20 0.43
DAO P14920 1/20 0.43
AKR1B1 P15121 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA2A P08913 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAOB P27338 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL1776265 0.85 LOXL2 (0.58) LOXL2AGXTHTR2BHTR1AESR1
SCHEMBL3097816 0.81 LOXL2 (0.58) LOXL2AGXTHTR2BHTR1AESR1
SCHEMBL2090461 0.78 LOXL2 (0.64) LOXL2AGXTHTR2BHTR1AESR1
SCHEMBL14075637 0.77 LOXL2 (0.69) LOXL2AGXTHTR2BHTR1AESR1
SCHEMBL7461012 0.77 LOXL2 (0.53) LOXL2AGXTHTR2BHTR1AESR1
SCHEMBL5541856 0.77 AGXT (0.62) LOXL2AGXTHTR2BHTR1AESR1
SCHEMBL7351572 0.77 MAOA (0.55) TYRDAOAKR1B1HPGDPOLB
SCHEMBL1259643 0.77 LOXL2 (0.53) LOXL2AGXTHTR2BHTR1AESR1
SCHEMBL140395 0.74 LOXL2 (0.71) LOXL2AGXTHTR2BHTR1AESR1
SCHEMBL6243293 0.74 LOXL2 (0.66) LOXL2AGXTHTR2BHTR1AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP claimed
EP-0382411-B1 Delivery of cytotoxic agents LILLY CO ELI (US) 1994-12-07 EP claimed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP claimed
WO-1994001137-A1 METHOD FOR DELIVERY OF CYTOTOXIC AGENTS AND COMPONENTS THEREOF HYBRITECH INCORPORATED (US) 1994-01-20 WO claimed
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 US disclosed
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-22 US disclosed
EP-2379053-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2011-10-26 EP disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
US-4673737-A ANTIBIOTICS/ HARVARD UNIVERSITY (US) 1987-06-16 US disclosed
EP-0211540-A1 Intermediates and process for antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-02-25 EP disclosed
CN-86105247-A Antibiotic intermediate and preparation method 1987-02-04 CN disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US disclosed
US-4159984-A METAL AND PROTON DONOR SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed
US-3932393-A 3-Methylenecephalosporins and process for production thereof ELI LILLY AND 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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF LOXL2 2068/4885AGXT 3242/4885HTR2B 4210/4885
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER KLK3, SHBG, SERPINA3 LOXL2 2836/4885AGXT 2678/4885HTR2B 4075/4885

“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.