SCHEMBL2250648

SCHEMBL2250648

Oc1ccc(Cc2ccc(Br)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.74
ESR2 Q92731 3/20 0.74
ALOX15 P16050 1/20 0.68
AGER Q15109 1/20 0.57
GLB1 P16278 1/20 0.52
CTRB1 P17538 1/20 0.52
CTRC Q99895 1/20 0.52
KEAP1 Q14145 1/20 0.46
IDO1 P14902 2/20 0.46
ABAT P80404 1/20 0.46
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
RAB9A P51151 1/20 0.44
CA2 P00918 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL2969737 0.86 ESR1 (1.00) ESR1ESR2ALOX15KEAP1IDO1
SCHEMBL36454 0.86 ESR1 (1.00) ESR1ESR2ALOX15KEAP1IDO1
SCHEMBL30330993 0.86 CYP2A6 (0.57) ESR1ESR2ALOX15IDO1TAAR1
SCHEMBL3334615 0.86 CYP2A6 (0.57) ESR1ESR2ALOX15IDO1TAAR1
SCHEMBL10355578 0.84 ESR1 (0.74) ESR1ESR2ALOX15AGERGLB1
SCHEMBL17443 0.83
SCHEMBL6118114 0.83 ALOX15 (1.00) ESR1ESR2ALOX15AGERGLB1
SCHEMBL15809732 0.82 ALOX15 (0.65) ESR1ESR2ALOX15AGERGLB1
Potassium SCHEMBL31030244 0.80
SCHEMBL28429380 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 US disclosed
EP-3731840-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF Orfan Biotech Inc. (US) 2020-11-04 EP disclosed
CN-103974981-B Hardening resin composition, curable resin formed body, cured resin formed body and their manufacture method and duplexer LINTEC CORP. (JP) 2016-05-18 CN disclosed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 US disclosed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 US disclosed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 US disclosed
EP-2734516-B1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INT (DE) 2015-06-17 EP disclosed
EP-2734516-B1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INT (DE) 2015-06-17 EP disclosed
CN-103201109-B Gas-barrier film, process for producing same, member for electronic device, and electronic device LINTEC CORP. (JP) 2014-10-22 CN disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 US disclosed
WO-2007008627-A2 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2007-01-18 WO disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
EP-0164638-B1 PROCESS FOR THE PREPARATION OF POLY(ARYLENE SULFIDES) WITH FUNCTIONAL END GROUPS BAYER AG (DE) 1990-05-09 EP disclosed
US-4605732-A Process for the production of polyarylene sulphides with functional end groups BAYER AKTIENGESELLSCHAFT (DE) 1986-08-12 US disclosed
EP-0164638-A2 Process for the preparation of poly(arylene sulfides) with functional end groups BAYER AG (DE) 1985-12-18 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-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S ESR1 2616/4885ESR2 1656/4885ALOX15 10/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S ESR1 2616/4885ESR2 1656/4885ALOX15 10/4885
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS ESR1 4403/4885ESR2 4768/4885ALOX15 105/4885

“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.