SCHEMBL3130541

SCHEMBL3130541

C=Cc1ccc2c(c1)sc1c3ccc(C=C)cc3sc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPA1 O75762 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL18950016 0.88 CNR2 (0.37) ALDH1A1PIM1PIM2TP53TDP1
SCHEMBL12901808 0.84 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL12901806 0.84 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL12901807 0.82 PIM1 (0.33) ALDH1A1PIM1PIM2MAPTPKM
SCHEMBL10064924 0.78 CYP2A6 (0.42) ALDH1A1TDP1TSHR
SCHEMBL30050035 0.78 GPR3 (0.54) ALDH1A1TP53TDP1MAPTTSHR
SCHEMBL3555799 0.78 GPR3 (0.54) ALDH1A1TP53TDP1MAPTTSHR
SCHEMBL12887176 0.75 CNR2 (0.42) ALDH1A1TP53MAPTTSHR
SCHEMBL10031364 0.75 CNR2 (0.42) ALDH1A1TP53MAPTTSHR
SCHEMBL13167668 0.74 RELA (0.47) ALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same SAMSUNG ELECTRONICS CO., LTD. 2010-01-14 US claimed
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
US-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same SAMSUNG ELECTRONICS CO., LTD. 2010-01-14 US disclosed
US-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same SAMSUNG ELECTRONICS CO., LTD. 2010-01-14 US disclosed
US-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same SAMSUNG ELECTRONICS CO., LTD. 2010-01-14 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 (2 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 98/4885PIM1 1339/4885PIM2 1710/4885
US-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same BPNT1, TST, SULT1E1 ALDH1A1 29/4885PIM1 376/4885PIM2 247/4885

“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.