SCHEMBL8711628

SCHEMBL8711628

Cc1cccc2c(=O)c3ccccc3oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.64
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 2/20 0.63
LMNA P02545 1/20 0.63
RAB9A P51151 1/20 0.63
GLA P06280 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
PGAM1 P18669 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TTR P02766 1/20 0.59
PTGS2 P35354 1/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM5A P29375 1/20 0.49

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
SCHEMBL9379369 0.86 MCL1 (0.52) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL12108 0.84 ALOX5 (0.46) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL13712773 0.83 MAOA (0.51) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL1324122 0.82 PTGS2 (0.57) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL29398254 0.82 PTGS2 (0.57) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL13005222 0.81 MAOA (0.64) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL12608741 0.81 MAOA (0.68) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL7253352 0.81 TTR (0.67) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL29838129 0.81 TTR (0.67) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL24120562 0.80 PTGS2 (0.71) MAOAKDM4EALDH1A1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278176-B1 Compounds having antitumour and antibacterial properties WARNER LAMBERT CO (US) 1994-03-09 EP claimed
EP-0278176-A2 Compounds having antitumour and antibacterial properties WARNER-LAMBERT COMPANY (US) 1988-08-17 EP claimed
WO-2021215943-A1 XANTHONE DERIVATIVES, UV PROTECTIVE COMPOSITION CONCENTRATE, METHOD OF PREPARATION OF UV PROTECTIVE COMPOSITION CONCENTRATE, USE OF UV PROTECTIVE COMPOSITION CONCENTRATE AND COSMETIC UV PROTECTIVE PRODUCT UNIWERSYTET JAGIELLONSKI (PL) 2021-10-28 WO disclosed
US-20210336155-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2021-10-28 US disclosed
WO-2019228430-A1 KETONE-CONTAINING COMPOUND AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE 江苏三月光电科技有限公司 (CN) 2019-12-05 WO disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-9163002-B2 Methodology for the synthesis of xanthones UNIVERSITY OF SOUTH CAROLINA (US) 2015-10-20 US disclosed
US-20140107354-A1 New Methodology for the Synthesis of Xanthones UNIVERSITY OF SOUTH CAROLINA 2014-04-17 US disclosed
US-5830902-A SQUALENE SYNTHASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-03 US disclosed
EP-0812840-A1 NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-17 EP disclosed
EP-0278176-B1 Compounds having antitumour and antibacterial properties WARNER LAMBERT CO (US) 1994-03-09 EP disclosed
US-5281620-A Alkyl substituted xanthenone-4-acetic acid CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-01-25 US disclosed
EP-0278176-A2 Compounds having antitumour and antibacterial properties WARNER-LAMBERT COMPANY (US) 1988-08-17 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-20140107354-A1 New Methodology for the Synthesis of Xanthones XDH, TYR, NISCH MAOA 68/4885KDM4E 1101/4885ALDH1A1 857/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 MAOA 403/4885KDM4E 4342/4885ALDH1A1 151/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 MAOA 403/4885KDM4E 4342/4885ALDH1A1 151/4885
US-20210336155-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CCNL2, MCM6, CRY1 MAOA 1754/4885KDM4E 2468/4885ALDH1A1 2007/4885

“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.