SCHEMBL17416845

SCHEMBL17416845

c1ccc2cc3c(cc2c1)sc1cc2ccc4c5cc6ccccc6cc5sc4c2cc13

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A1 P04798 5/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CYP1A2 P05177 5/20 0.32
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
GPR3 P46089 1/20 0.32
HPRT1 P00492 1/20 0.32
NQO1 P15559 2/20 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
SCHEMBL18666097 0.87 MAPT (0.50) CYP1B1ALDH1A1HPGDMAPTRAB9A
SCHEMBL30581080 0.87 CYP1B1 (0.46) CYP1B1ALDH1A1HSD17B10HIF1AHPGD
SCHEMBL14101422 0.87 CYP1B1 (0.46) CYP1B1ALDH1A1HSD17B10HIF1AHPGD
SCHEMBL11990859 0.82 GPR3 (0.46) CYP1B1ALDH1A1HSD17B10HIF1AHPGD
SCHEMBL30888167 0.82 GPR3 (0.46) CYP1B1ALDH1A1HSD17B10HIF1AHPGD
SCHEMBL13562029 0.80 CYP2A6 (0.46) CYP1B1ALDH1A1HSD17B10HIF1AHPGD
SCHEMBL752667 0.80 GPR3 (0.43) CYP1B1ALDH1A1HSD17B10HIF1AHPGD
SCHEMBL16024612 0.80 GPR3 (0.43) CYP1B1ALDH1A1HSD17B10HIF1AHPGD
SCHEMBL24341046 0.79 MAPT (0.37) CYP1B1ALDH1A1HPGDMAPTRAB9A
SCHEMBL19109216 0.79 MAPT (0.37) CYP1B1ALDH1A1HPGDMAPTRAB9A

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
EP-2966077-B1 CHALCOGEN-CONTAINING ORGANIC COMPOUND AND USE THEREFOR JNC CORP (JP) 2020-04-01 EP disclosed
US-9853225-B2 Chalcogen-containing organic compound and a use thereof JNC CORPORATION (JP) 2017-12-26 US disclosed
US-20160013425-A1 A CHALCOGEN-CONTAINING ORGANIC COMPOUND AND A USE THEREOF PI-CRYSTAL INC. (JP) 2016-01-14 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-20160013425-A1 A CHALCOGEN-CONTAINING ORGANIC COMPOUND AND A USE THEREOF SCO2, SOD1, GPX1 CYP1B1 332/4885ALDH1A1 2158/4885HSD17B10 503/4885

“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.