SCHEMBL12901807

SCHEMBL12901807

C=Cc1ccc2cc(-c3ccc4c(c3)sc3c5ccc(-c6ccc7cc(C=C)ccc7c6)cc5sc43)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
LIMK1 P53667 8/20 0.33
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 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
SCHEMBL12901808 0.86 ALDH1A1 (0.41) LIMK1ALDH1A1
SCHEMBL12901806 0.86 ALDH1A1 (0.41) LIMK1ALDH1A1
SCHEMBL3130541 0.82 ALDH1A1 (0.42) PIM1PIM2ESR1ESR2ALDH1A1
SCHEMBL12887181 0.81 PTGES (0.37) LIMK1ALDH1A1MAPT
SCHEMBL9976848 0.78 ESR1 (0.47) LIMK1ESR1ESR2ALDH1A1MAPT
SCHEMBL23556042 0.76 MAPT (0.43) LIMK1ESR1ESR2ALDH1A1MAPT
SCHEMBL18470268 0.76 ESR1 (0.50) LIMK1ESR1ESR2ALDH1A1MAPT
SCHEMBL18470273 0.75 ESR1 (0.44) LIMK1ESR1ESR2ALDH1A1MAPT
SCHEMBL23555971 0.75 LIMK1 (0.43) LIMK1ESR1ESR2ALDH1A1MAPT
SCHEMBL12887191 0.75 LIMK1 (0.35) LIMK1ESR1ESR2

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 PIM1 1339/4885PIM2 1710/4885LIMK1 1457/4885

“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.