SCHEMBL5645202

SCHEMBL5645202

CCCCC[CH]NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 1/20 0.37
FAAH O00519 3/20 0.34
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL16892573 0.98 TSHR (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11775350 0.98 TSHR (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2975404 0.92
SCHEMBL10705331 0.81 MEN1 (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL16671760 0.76 TSHR (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14892315 0.73
SCHEMBL2488178 0.73
SCHEMBL3033190 0.73 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL16670967 0.71 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL386576 0.70

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 7 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-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-7276600-B2 Phthalocyanine derivatives and their applications in optical recording media TSAI YEN CHENG 2007-10-02 US disclosed
US-20060292494-A1 Novel phthalocyanine derivatives, synthetic process thereof and their applications in optical recording media TSAI YEN C 2006-12-28 US disclosed
US-20060281026-A1 Phthalocyanine derivatives and their applications in optical recording media TSAI YEN C 2006-12-14 US 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-20060292494-A1 Novel phthalocyanine derivatives, synthetic process thereof and their applications in optical recording media TRPC3, TRPA1, TRPC6 ADH1B 1219/4885ADH1C 2372/4885ADH1A 2753/4885
US-20060281026-A1 Phthalocyanine derivatives and their applications in optical recording media CRY2, CACNA1C, CRY1 ADH1B 2515/4885ADH1C 2323/4885ADH1A 3475/4885
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR TST, TPST2, TPR ADH1B 2095/4885ADH1C 3401/4885ADH1A 1749/4885

“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.