SCHEMBL4185846

SCHEMBL4185846

CCCCOc1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.61
CYP1A2 P05177 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
MAPT P10636 6/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
HPGD P15428 3/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL11876204 0.94 HTR7 (0.59) HTR7CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL10429651 0.92 HTR7 (0.58) HTR7CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL12704119 0.92 HTR7 (0.58) HTR7CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4800847 0.92 HTR7 (0.58) HTR7CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL1590919 0.92 HTR7 (0.58) HTR7CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL1305347 0.92 HTR7 (0.58) HTR7CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL1796140 0.89 HTR7 (0.63) HTR7CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2344935 0.87 HTR7 (0.64) HTR7CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL701534 0.87 HTR7 (0.64) HTR7CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL14038703 0.85 CYP1A2 (0.53) HTR7CYP1A2CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6287174-A None JP disclosed
CN-107567433-B Bridged bi-aromatic ligands and olefin polymerization catalysts prepared therefrom 尤尼威蒂恩技术有限责任公司 2022-01-18 CN disclosed
EP-2484658-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2017-12-06 EP disclosed
US-20170305928-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2017-10-26 US disclosed
US-9738658-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2017-08-22 US disclosed
WO-2017094872-A1 ULTRAVIOLET ABSORBER 国立大学法人大阪大学 2017-06-08 WO disclosed
US-20170081342-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2017-03-23 US disclosed
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 US disclosed
US-20150322082-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-11-12 US disclosed
US-9109157-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition and liquid crystal display device using the same JNC CORPORATION (JP) 2015-08-18 US disclosed
US-6492367-B1 Sulfamato hydroxamic acid metalloprotease inhibitor G. D. SEARLE & COMPANY 2002-12-10 US disclosed
US-6479709-B1 Process for the production of styrene derivative TOSOH CORPORATION (JP) 2002-11-12 US disclosed
US-6472567-B2 REACTING A GRIGNARD REAGENT PREPARED FROM A SUBSTITUTED PHENYL HALIDE, ESPECIALLY A TERT-BUTOXYPHENYL HALIDE, WITH A VINYL HALIDE IN THE PRESENCE OF A MANGANESE, IRON, COBALT OR RHODIUM CATALYST; PRODUCT FREE FROM BIPHENYL. TOSOH CORPORATION (JP) 2002-10-29 US disclosed
US-6448250-B1 INHIBITS THE ACTIVITY OF ONE OR MORE OF THE FOLLOWING MATRIX METALLOPROTEINASES: MMP-2, MMP-9, AND MMP-13, WHILE EXHIBITING SUBSTANTIALLY LESS INHIBITORY ACTIVITY AGAINST MMP-1 G. D. SEARLE & COMPANY 2002-09-10 US disclosed
CN-1362954-A Sulfamidohydroxamic acid metalloprotease inhibitor SEARLE & CO (US) 2002-08-07 CN disclosed
US-20020026084-A1 Process for the production of styrene compound, and styrene compound free from biphenyl TOSOH CORPORATION (JP) 2002-02-28 US disclosed
EP-1157021-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
WO-2000046221-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-10 WO disclosed
JP-H06287174-A NEW ONIUM SALT AND POSITIVE TYPE PHOTORESIST MATERIAL USING THE SAME SHIN ETSU CHEM CO LTD 1994-10-11 JP disclosed
WO-1992013820-A1 PROCESS FOR THE PREPARATION OF ALKYL-4-HALOPHENYL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-20 WO 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 (5 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-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 HTR7 2043/4885CYP1A2 2116/4885CYP2C9 3994/4885
US-20170081342-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT HTR7 3326/4885CYP1A2 847/4885CYP2C9 1039/4885
US-20020026084-A1 Process for the production of styrene compound, and styrene compound free from biphenyl RNF4, GRHPR, SBDS HTR7 1687/4885CYP1A2 91/4885CYP2C9 876/4885
US-20170305928-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT HTR7 4280/4885CYP1A2 2953/4885CYP2C9 3749/4885
US-20150322082-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT HTR7 3326/4885CYP1A2 847/4885CYP2C9 1039/4885

“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.