SCHEMBL16892602

SCHEMBL16892602

CCCCNCCCc1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.50
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 6/20 0.47
S1PR2 O95136 5/20 0.47
S1PR4 O95977 3/20 0.47
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL16892525 0.93 SIGMAR1 (0.56) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL16892534 0.93 SIGMAR1 (0.56) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL17930 0.83 CA2 (0.48) THRATHRB
Water SCHEMBL28265892 0.83 CA2 (0.48) THRATHRB
SCHEMBL16913071 0.82 SIGMAR1 (0.52) SIGMAR1
SCHEMBL8995221 0.82 HRH4 (0.58) S1PR1S1PR3S1PR2S1PR4
SCHEMBL58197 0.81 ESR1 (0.54)
SCHEMBL20558654 0.81 CA2 (0.47) THRATHRB
SCHEMBL27372974 0.81 CA2 (0.47) THRATHRB
SCHEMBL28194539 0.81 CA2 (0.47) THRATHRB

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR TST, TPST2, TPR SIGMAR1 3454/4885S1PR1 4701/4885S1PR3 4706/4885

“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.