SCHEMBL11892156

SCHEMBL11892156

CC(C)(C)CCCCCCCCc1cc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.49
ADRB2 P07550 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
AGXT P21549 1/20 0.45
GLS O94925 1/20 0.40
ADRA1D P25100 2/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MGLL Q99685 1/20 0.38
IDH1 O75874 1/20 0.37
CHRM3 P20309 1/20 0.35

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
SCHEMBL13143598 0.87 CYP2A6 (0.55) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL24614167 0.82 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL9347774 0.82 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL9347724 0.82 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL1687607 0.82 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL368353 0.80 CYP2A6 (0.55) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL2091527 0.79 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL9587702 0.79 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL7345698 0.78 CYP2A6 (0.56) CYP2A6ADRB2ASIC3LOXL2AGXT
SCHEMBL346786 0.78 CYP2A6 (0.56) CYP2A6ADRB2ASIC3LOXL2AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-07-26 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-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM EBPL, SAAL1, APOL1 CYP2A6 829/4885ADRB2 3433/4885ASIC3 1888/4885

“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.