SCHEMBL1616783

SCHEMBL1616783

Cc1cc2ccccc2c2sc3sc4c5ccccc5cc(C)c4c3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.42
CYP2A6 P11509 3/20 0.42
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.35
HIF1A Q16665 2/20 0.34
CYP1B1 Q16678 1/20 0.34
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
MAPT P10636 1/20 0.33
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL26380615 0.80 MAPT (0.46) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL19786593 0.80 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL18810717 0.71 HSD17B10 (0.46) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1616082 0.70 HPRT1 (0.50) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1617303 0.69 CYP1A2 (0.41) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL18645876 0.69 MAPT (0.46) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL16283926 0.69 ALDH1A1 (0.46) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL13637909 0.69 ALDH1A1 (0.45) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL19915326 0.68 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL11555936 0.68 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541602-B2 Compound, organic semiconductor material, and semiconductor device DENSO CORPORATION (JP) 2013-09-24 US disclosed
US-8541602-B2 Compound, organic semiconductor material, and semiconductor device DENSO CORPORATION (JP) 2013-09-24 US disclosed
US-20120088921-A1 COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND SEMICONDUCTOR DEVICE DENSO CORPORATION (JP) 2012-04-12 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-20120088921-A1 COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND SEMICONDUCTOR DEVICE SCO2, SPIN1, PROX1 CYP1A2 403/4885CYP2A6 1797/4885ALDH1A1 2320/4885

“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.