SCHEMBL12901806

SCHEMBL12901806

C=Cc1ccc(-c2ccc(-c3ccc4c(c3)sc3c5ccc(-c6ccc(-c7ccc(C=C)cc7)cc6)cc5sc43)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LIMK1 P53667 16/20 0.39
HDAC2 Q92769 1/20 0.33
TSHR P16473 1/20 0.32
STK17B O94768 1/20 0.32

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
SCHEMBL12901808 1.00 ALDH1A1 (0.41) ALDH1A1LIMK1HDAC2TSHRSTK17B
SCHEMBL12901807 0.86 PIM1 (0.33) ALDH1A1LIMK1
SCHEMBL3130541 0.84 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL12887178 0.79 LIMK1 (0.37) ALDH1A1LIMK1TSHR
SCHEMBL12887179 0.79 LIMK1 (0.37) ALDH1A1LIMK1TSHR
SCHEMBL12887361 0.77 LIMK1 (0.39) LIMK1
SCHEMBL24619537 0.77 LIMK1 (0.54) LIMK1
SCHEMBL755297 0.77 LIMK1 (0.54) LIMK1
SCHEMBL753413 0.77 LIMK1 (0.54) LIMK1
SCHEMBL18470285 0.76 LIMK1 (0.57) ALDH1A1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110040107-A1 [1]BENZOTHIENO[3,2-B][1]BENZOTHIOPHENE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2011-02-17 US disclosed
WO-2009128559-A1 [1]BENZOTHIENO[3,2-B][1]BENZOTHIOPHENE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2009-10-22 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 (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-20110040107-A1 [1]BENZOTHIENO[3,2-B][1]BENZOTHIOPHENE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME KYAT1, SULT1E1, SULT1A1 ALDH1A1 98/4885LIMK1 1457/4885HDAC2 1917/4885

“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.