SCHEMBL4838243

SCHEMBL4838243

Fc1[c]cc2cc3cc4cc5ccccc5cc4cc3cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 1/20 0.38
ATM Q13315 1/20 0.33
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
NQO2 P16083 1/20 0.31
HSD17B14 Q9BPX1 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
SCHEMBL457800 0.91 CYP2A6 (0.42) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL1392297 0.88
SCHEMBL1393260 0.83
SCHEMBL1393157 0.81
SCHEMBL1392512 0.80
SCHEMBL2255305 0.73 ALDH1A1 (0.48) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL1557253 0.73 CYP2A6 (0.39) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL2700600 0.73 CYP2A6 (0.39) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL871457 0.72 ALDH1A1 (0.46) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL1392248 0.71

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-7439407-B2 Fluorinated pentacene derivative and method of producing same KANTO DENTA KOGYO CO., LTD. (JP) 2008-10-21 US disclosed
US-20070083067-A1 Fluorinated pentacene derivative and method of producing same KANTO DENKA KOGYO CO. LTD. (JP) 2007-04-12 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-20070083067-A1 Fluorinated pentacene derivative and method of producing same FAR1, FAM162A, FFAR4 CYP2A6 2678/4885CYP1A2 2877/4885ALDH1A1 1732/4885

“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.