SCHEMBL753449

SCHEMBL753449

Cp1c2cc3ccccc3cc2c2cc3c(cc21)c1cc2ccccc2cc1p3C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ CYP2A6 P11509 8/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPT P10636 2/20 0.34
▸ CYP1A2 P05177 5/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ ELANE P08246 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ TSHR P16473 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
SCHEMBL753447 0.71 CYP2A6 (0.42) NQO1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL29423353 0.69 ALDH1A1 (0.56) NQO1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL28463321 0.69 ALDH1A1 (0.56) NQO1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL190942 0.69 ALDH1A1 (0.56) NQO1ALDH1A1HSD17B10HIF1ACYP1B1
Anthracene SCHEMBL28787108 0.67 ALDH1A1 (0.53) NQO1ALDH1A1HSD17B10HIF1ACYP1B1
Benzene SCHEMBL4881895 0.67 ALDH1A1 (0.53) NQO1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL10356917 0.66 CYP1A2 (0.38) ALDH1A1HSD17B10CYP2A6TDP1MAPT
SCHEMBL1976533 0.66 CYP2A6 (0.50) NQO1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL4642683 0.66 CYP2A6 (0.50) NQO1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29853846 0.66 CYP2A6 (0.50) NQO1ALDH1A1HSD17B10HIF1ACYP1B1

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 NQO1 3530/4885ALDH1A1 2196/4885HSD17B10 3443/4885

“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.

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