SCHEMBL12887178

SCHEMBL12887178

CC=Cc1ccc(-c2ccc3c(c2)sc2c4ccc(-c5ccc(C=CC)cc5)cc4sc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 13/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.33
PTGES O14684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 3/20 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
SCHEMBL12887179 1.00 LIMK1 (0.37) LIMK1KDM4EALDH1A1LMNATP53
SCHEMBL14942989 0.94 LIMK1 (0.34) LIMK1KDM4EALDH1A1LMNATP53
SCHEMBL14942962 0.94 LIMK1 (0.34) LIMK1KDM4EALDH1A1LMNATP53
SCHEMBL12887181 0.87 PTGES (0.37) LIMK1KDM4EALDH1A1LMNATP53
SCHEMBL10031364 0.85 CNR2 (0.42) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL12887176 0.85 CNR2 (0.42) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL12901806 0.79 ALDH1A1 (0.41) LIMK1ALDH1A1TSHR
SCHEMBL12901808 0.79 ALDH1A1 (0.41) LIMK1ALDH1A1TSHR
SCHEMBL18950016 0.78 CNR2 (0.37) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL14942988 0.78 CNR2 (0.37) KDM4EALDH1A1LMNATP53CYP3A4

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-8440713-B2 [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) 2013-05-14 US disclosed
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

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 LIMK1 1457/4885KDM4E 1652/4885ALDH1A1 98/4885

“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.