SCHEMBL811027

SCHEMBL811027

Clc1cc(Cl)cc(Oc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.60
TSHR P16473 1/20 0.60
PGR P06401 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
NLRP3 Q96P20 1/20 0.47
MAOB P27338 1/20 0.46
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
MAOA P21397 1/20 0.46
TERT O14746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
GSTP1 P09211 1/20 0.43
AKR1C3 P42330 1/20 0.42

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
SCHEMBL3789307 0.95 LTA4H (0.60) LTA4HTSHRPGRCYP1A2CYP2C9
SCHEMBL30543010 0.85 TERT (0.53) TSHRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL10772416 0.85 LTA4H (0.54) LTA4HTSHRPGRCYP1A2CYP2C9
SCHEMBL13119751 0.85 LTA4H (0.59) LTA4HTSHRPGRCYP1A2CYP2C9
SCHEMBL15902880 0.85 LTA4H (0.48) LTA4HTSHRPGRCYP1A2CYP2C9
SCHEMBL3791201 0.85 MEN1 (0.63) LTA4HTSHRPGRCYP1A2CYP2C9
SCHEMBL10549494 0.85 LTA4H (0.48) LTA4HTSHRPGRCYP1A2CYP2C9
SCHEMBL10706723 0.84 TSHR (0.57) TSHRCYP2C19CYP3A4KMT2AMAOB
SCHEMBL3790523 0.83 LTA4H (0.57) LTA4HTSHRPGRCYP1A2CYP2C9
Diphenylether SCHEMBL1118926 0.81 LTA4H (0.71) LTA4HTSHRPGRCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111212844-B Dimer compound, material for organic element, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2023-08-25 CN disclosed
US-20220396549-A1 SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEROF UNIV MARYLAND (US) 2022-12-15 US disclosed
US-10858316-B2 Small molecule inhibitors of the MCL-1 oncoprotein and uses thereof UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-12-08 US disclosed
CN-111212844-A Polycyclic aromatic dimer compound 学校法人关西学院 2020-05-29 CN disclosed
US-20180208554-A1 Small Molecule Inhibitors of the MCL-1 Oncoprotein and Uses Thereof UNIVERSITY OF MARYLAND, BALTIMORE 2018-07-26 US disclosed
US-9511059-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
US-20150353511-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-10 US disclosed
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
EP-2390241-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110256790-A1 THERMAL INSULATION CONTAINING SUPPLEMENTAL INFRARED RADIATION ABSORBING MATERIAL SAINT-GOBAIN ISOVER (FR) 2011-10-20 US disclosed
WO-2007113327-A2 FUNGICIDE N-CYCLOPROPYL-SULFONYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-10-11 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-20220396549-A1 SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEROF MCL1, TP53, MYC LTA4H 4031/4885TSHR 4302/4885PGR 4485/4885
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 LTA4H 3908/4885TSHR 185/4885PGR 1616/4885
US-10858316-B2 Small molecule inhibitors of the MCL-1 oncoprotein and uses thereof MCL1, BCL3, BCL9 LTA4H 4225/4885TSHR 4479/4885PGR 4485/4885
US-20180208554-A1 Small Molecule Inhibitors of the MCL-1 Oncoprotein and Uses Thereof MCL1, BCL3, BCL9 LTA4H 4225/4885TSHR 4479/4885PGR 4485/4885
US-20150353511-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS LTA4H 2387/4885TSHR 4602/4885PGR 2943/4885

“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.