SCHEMBL753463

SCHEMBL753463

Cc1cc2cc3sc4cc5c(cc4c3cc2cc1C)sc1cc2cc(C)c(C)cc2cc15

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL753468 0.98 GAA (0.35) GAAALDH1A1TP53SMN1; SMN2CYP3A4
SCHEMBL753467 0.98 GAA (0.35) GAAALDH1A1TP53SMN1; SMN2CYP3A4
SCHEMBL20342326 0.87 CYP2A6 (0.38) GAAALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL20342337 0.83 CYP2A6 (0.50) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL9976852 0.83 GAA (0.35) GAAALDH1A1TP53SMN1; SMN2CYP3A4
SCHEMBL754841 0.82 CYP2A6 (0.34) GAAALDH1A1TP53SMN1; SMN2CYP3A4
SCHEMBL20342390 0.81 ILK (0.31)
SCHEMBL754864 0.81 CYP2A6 (0.36) GAAALDH1A1TP53SMN1; SMN2CYP3A4
SCHEMBL13556946 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11976505 0.78 GAA (0.42) GAAALDH1A1TP53SMN1; SMN2CYP3A4

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-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 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-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 GAA 4119/4885ALDH1A1 2196/4885TP53 2508/4885

“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.