SCHEMBL5580077

SCHEMBL5580077

COc1ccc([CH]Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
TRPA1 O75762 1/20 0.57
G6PC1 P35575 1/20 0.53
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2A6 P11509 1/20 0.50
CA4 P22748 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
EP300 Q09472 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL2123173 0.92 LTA4H (0.57) LTA4HTRPA1G6PC1ALDH1A1SMN1; SMN2
SCHEMBL1930129 0.90 ALDH1A1 (0.61) LTA4HTRPA1ALDH1A1SMN1; SMN2TP53
SCHEMBL8710305 0.90 TRPA1 (0.50) LTA4HTRPA1G6PC1ALDH1A1SMN1; SMN2
SCHEMBL5632468 0.85 GPR52 (0.54) LTA4HTRPA1G6PC1ALDH1A1TP53
SCHEMBL4949651 0.84 RELA (0.54) ALDH1A1SMN1; SMN2TP53CYP2A6SIGMAR1
SCHEMBL3168388 0.83 RELA (0.60) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL7777160 0.83 RELA (0.60) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL8709613 0.82 LTA4H (0.48) LTA4HTSHR
SCHEMBL7813380 0.82 MAOB (0.63) NPC1RAB9A
SCHEMBL5253949 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 EP claimed
EP-2837635-B1 NEW INTERMEDIATES FOR THE PREPARATION OF HEPARIN PENTASACCHARIDE AND PREPARATION METHODS THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2017-10-18 EP claimed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 CN disclosed
EP-2705028-B1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2019-08-21 EP disclosed
US-9725474-B2 Modified nucleic acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-08 US disclosed
US-9556163-B2 Process for the preparation of a rivaroxaban and intermediates formed in said process EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2017-01-31 US disclosed
CN-105579436-A Onium salt, and composition containing same ASAHI KASEI E MATERIALS CORP 2016-05-11 CN disclosed
US-20160016983-A1 New Modified Nucleic Acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-21 US disclosed
US-20140142303-A1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2014-05-22 US disclosed
EP-2705028-A1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS Egis Gyógyszergyár Nyilvánosan Müködö Részvény-Társaság (HU) 2014-03-12 EP disclosed
US-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-11-29 US disclosed
EP-0722436-A4 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1996-11-20 EP disclosed
EP-0722436-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009833-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed
EP-0536169-A1 3H,7H]THIAZOLO 3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT. BOEHRINGER MANNHEIM ITALIA (IT) 1993-04-14 EP disclosed
US-5023233-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1991-06-11 US disclosed
EP-0411833-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1991-02-06 EP disclosed
WO-1989000158-A1 BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS AND ESTERS PFIZER INC. (US) 1989-01-12 WO disclosed
EP-0297858-A2 Bridged-diazabicycloalkyl quinolone carboxylic acids and esters PFIZER INC. (US) 1989-01-04 EP disclosed
EP-0005524-A1 Omega-(1,3-dithiolan-2-imino)substituted acetic acids, process for their preparation and pharmaceutical compositions containing them MERRELL DOW PHARMACEUTICALS, INC. (US) 1979-11-28 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 (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-20160016983-A1 New Modified Nucleic Acid RNGTT, RNASEH1, RNASE1 LTA4H 3805/4885TRPA1 3635/4885G6PC1 476/4885
US-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES ACACA, AKR1C4, HSD17B12 LTA4H 118/4885TRPA1 4015/4885G6PC1 492/4885
US-20140142303-A1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS CYP2C9, CYP3A5, CYP2J2 LTA4H 2724/4885TRPA1 1977/4885G6PC1 2004/4885

“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.