SCHEMBL13562145

SCHEMBL13562145

Cc1ccc2c(c1)sc1ccc3c4ccccc4ccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.44
CYP2A6 P11509 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAOA P21397 2/20 0.40
CYP1A2 P05177 6/20 0.40
MCL1 Q07820 1/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 3/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 2/20 0.39
FYN P06241 2/20 0.39
ACHE P22303 2/20 0.39
AHR P35869 2/20 0.39
ERBB2 P04626 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL14133036 0.94 RAB9A (0.44) HPRT1CYP2A6TDP1MAOACYP1A2
SCHEMBL13562137 0.88 CYP2A6 (0.40) HPRT1CYP2A6TDP1MAOACYP1A2
SCHEMBL13562084 0.84 CYP2A6 (0.44) CYP2A6TDP1MAOACYP1A2MCL1
SCHEMBL13562147 0.84 CYP1A2 (0.45) HPRT1CYP2A6TDP1MAOACYP1A2
SCHEMBL9779043 0.82 CYP2A6 (0.47) CYP2A6TDP1MAOACYP1A2MCL1
SCHEMBL13562142 0.81 MEN1 (0.40) HPRT1CYP2A6TDP1MAOACYP1A2
SCHEMBL13562207 0.81 HPRT1 (0.47) HPRT1CYP2A6TDP1MAOACYP1A2
SCHEMBL13562143 0.79 CYP1A2 (0.40) HPRT1TDP1CYP1A2HIF1ACYP3A4
SCHEMBL12433612 0.79 MAPT (0.41) CYP2A6TDP1CYP1A2MCL1HPGD
SCHEMBL13562146 0.78 CYP1A2 (0.39) HPRT1TDP1CYP1A2HPGDRAB9A

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-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 US disclosed
US-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 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-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME TCF4, TPR, H1-4 HPRT1 102/4885CYP2A6 933/4885TDP1 2721/4885

“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.