SCHEMBL14101458

SCHEMBL14101458

c1ccc2c(-c3ccc4ccc5c(-c6ccc7sc8ccc(-c9ccc(-c%10ccc%11ccc%12cccc%13ccc%10c%11c%12%13)cc9)cc8c7c6)ccc6ccc3c4c65)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
CYP1A2 P05177 2/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
F9 P00740 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PRKDC P78527 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14101442 0.96 CYP1A2 (0.41) CA12CA1CA2CA9CYP1A2
SCHEMBL14101528 0.95 CA12 (0.44) CA12CA1CA2CA9CYP1A2
SCHEMBL14101523 0.95 CYP1A2 (0.42) CA12CA1CA2CA9CYP1A2
SCHEMBL14101438 0.95 MCL1 (0.40) CA12CA1CA2CA9CYP1A2
SCHEMBL14101525 0.92 F9 (0.41) CA12CA1CA2CA9CYP1A2
SCHEMBL14101526 0.92 ALOX5 (0.41) CA12CA1CA2CA9CYP1A2
SCHEMBL14101447 0.92 CYP1A2 (0.38) CA12CA1CA2CA9CYP1A2
SCHEMBL14101454 0.92 CYP1A2 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14101444 0.92 CYP1A2 (0.38) CA12CA1CA2CA9CYP1A2
SCHEMBL14101461 0.92 CYP1A2 (0.45) CYP1A2ERBB2FYNMAOAACHE

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-20080166594-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-07-10 US disclosed
US-20080166594-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-07-10 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-20080166594-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME CYBA, BPNT1, TYR CA12 3933/4885CA1 3799/4885CA2 3526/4885

“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.