SCHEMBL7302580

SCHEMBL7302580

[c]1ccc(CCOC2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.33
OPRM1 P35372 3/20 0.31
CYP19A1 P11511 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
LOX P28300 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
KCNA5 P22460 1/20 0.30
SCN5A Q14524 1/20 0.30
OPRK1 P41145 2/20 0.30
OPRD1 P41143 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL4620956 0.98 NPC1 (0.36) NPC1HPGDOPRM1FFAR4KCNA5
SCHEMBL7295826 0.95 NPC1 (0.32) NPC1FFAR4
SCHEMBL7306025 0.91 HSD17B3 (0.31)
SCHEMBL7323836 0.90 NPC1 (0.35) NPC1HPGDFFAR4SCN5AHRH3
SCHEMBL7307584 0.90 OPRM1 (0.41) NPC1OPRM1SCN5AOPRK1OPRD1
SCHEMBL7295050 0.88 FFAR4 (0.33) NPC1HPGDFFAR4HRH3
SCHEMBL7304224 0.88 OPRM1 (0.42) NPC1OPRM1SCN5AOPRK1OPRD1
SCHEMBL7337609 0.85 HRH3 (0.39) NPC1HPGDOPRM1SCN5AOPRK1
SCHEMBL7304360 0.85 FFAR4 (0.33) FFAR4HRH3
SCHEMBL7306774 0.84 OPRM1 (0.39) OPRM1SCN5AOPRK1OPRD1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2894685-B1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DAINIPPON INK & CHEMICALS (JP) 2018-10-31 EP disclosed
US-20180248131-A1 ORGANIC COMPOUND, METHOD FOR PREPARING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME DIC CORPORATION (JP) 2018-08-30 US disclosed
EP-3342769-A1 ORGANIC COMPOUND, METHOD FOR MANUFACTURING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME DIC Corporation (JP) 2018-07-04 EP disclosed
CN-107207458-A Organic compound, its manufacture method, the organic semiconducting materials containing it and the organic transistor containing it DIC株式会社 2017-09-26 CN disclosed
CN-104769735-B Benzothiophene and benzothiophene derivative, organic semiconducting materials and organic transistor DIC株式会社 2017-07-28 CN disclosed
US-9490433-B2 Benzothienobenzothiophene derivative, organic semiconductor material, and organic transistor DIC CORPORATION (JP) 2016-11-08 US disclosed
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DIC CORPORATION (JP) 2015-08-13 US disclosed
EP-2894685-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DIC Corporation (JP) 2015-07-15 EP disclosed
CN-104769735-A Benzothienobenzothiophene derivative, organic semiconductor material, and organic transistor CENTRE NAT RECH SCIENT 2015-07-08 CN disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 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 (2 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-20180248131-A1 ORGANIC COMPOUND, METHOD FOR PREPARING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME TST, SOAT1, SOAT2 NPC1 2274/4885HPGD 1880/4885OPRM1 3926/4885
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR TST, TPST2, TPR NPC1 1230/4885HPGD 3780/4885OPRM1 3310/4885

“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.