SCHEMBL987593

SCHEMBL987593

CCCCCCCCCCc1cc[c]s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR2C P28335 1/20 0.38
HSPE1 P61604 1/20 0.38
TST Q16762 1/20 0.38

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
SCHEMBL1286045 1.00 ESR1 (0.38) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL735087 1.00 ESR1 (0.38) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27868029 1.00 ESR1 (0.38) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1285757 1.00 ESR1 (0.38) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL16892538 1.00 ESR1 (0.38) ESR1ADRA2AADORA3TACR2SLC6A2
Magnesium Chloride Anhydrous SCHEMBL28886869 0.93 HTR2A (0.38) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL3380 0.92
SCHEMBL16892561 0.86 SIGMAR1 (0.47) ALDH1A1LMNA
SCHEMBL16892539 0.86 SIGMAR1 (0.47) ALDH1A1LMNA
SCHEMBL16892552 0.86 ESR1 (0.36) ESR1TP53HSD17B10ACHEGPR84

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
WO-2024005030-A1 DIPHENYLETHENE-BASED COMPOUND, LIGHT ABSORBER, RESIN COMPOSITION, AND USE THEREOF 山本化成株式会社 2024-01-04 WO disclosed
EP-2894685-B1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DAINIPPON INK & CHEMICALS (JP) 2018-10-31 EP 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
US-8541602-B2 Compound, organic semiconductor material, and semiconductor device DENSO CORPORATION (JP) 2013-09-24 US disclosed
EP-2259355-B1 ORGANIC TRANSISTOR YAMAMOTO CHEMICALS INC (JP) 2013-02-20 EP disclosed
US-8294144-B2 Organic transistor YAMAMOTO CHEMICALS, INC. (JP) 2012-10-23 US disclosed
US-20120088921-A1 COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND SEMICONDUCTOR DEVICE DENSO CORPORATION (JP) 2012-04-12 US disclosed
US-20110012098-A1 ORGANIC TRANSISTOR YAMAMOTO CHEMICALS, INC. (JP) 2011-01-20 US disclosed
EP-2259355-A1 ORGANIC TRANSISTOR Yamamoto Chemicals, Inc. (JP) 2010-12-08 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-20120088921-A1 COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND SEMICONDUCTOR DEVICE SCO2, SPIN1, PROX1 ESR1 640/4885ADRA2A 2683/4885ADORA3 2703/4885
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR TST, TPST2, TPR ESR1 2870/4885ADRA2A 3715/4885ADORA3 2606/4885

“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.