SCHEMBL21789326

SCHEMBL21789326

c1ccc2c(c1)ccc1c2ccc2c3ccc4c5ccccc5ccc4c3sc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.70
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
CYP2A6 P11509 1/20 0.60
TSHR P16473 1/20 0.60
CYP1B1 Q16678 4/20 0.50
HIF1A Q16665 2/20 0.50
PAX8 Q06710 1/20 0.50
CYP1A1 P04798 3/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
APEX1 P27695 1/20 0.45
PMP22 Q01453 1/20 0.45
CYP1A2 P05177 4/20 0.44
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 2/20 0.42

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
SCHEMBL12069799 0.95 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL13085236 0.92 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30154374 0.92 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL9965353 0.87 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL11942389 0.85 HPRT1 (0.55) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Chrysene SCHEMBL9786466 0.84 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL31177955 0.84 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Chrysene SCHEMBL27115 0.84 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Chrysene SCHEMBL384031 0.84 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL25510 0.84 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11974501-B2 Chalcogen-containing organic compound, organic semiconductor material, organic semiconductor film, and organic field-effect transistor THE UNIVERSITY OF TOKYO (JP) 2024-04-30 US disclosed
EP-3845525-B1 CHALCOGEN-CONTAINING ORGANIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM, AND ORGANIC FIELD-EFFECT TRANSISTOR UNIV TOKYO (JP) 2022-08-03 EP disclosed
EP-3845525-A1 CHALCOGEN-CONTAINING ORGANIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM, AND ORGANIC FIELD-EFFECT TRANSISTOR The University of Tokyo (JP) 2021-07-07 EP disclosed
US-20210202865-A1 CHALCOGEN-CONTAINING ORGANIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM, AND ORGANIC FIELD-EFFECT TRANSISTOR THE UNIVERSITY OF TOKYO (JP) 2021-07-01 US disclosed
US-20210202865-A1 CHALCOGEN-CONTAINING ORGANIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM, AND ORGANIC FIELD-EFFECT TRANSISTOR THE UNIVERSITY OF TOKYO (JP) 2021-07-01 US disclosed
WO-2020045597-A1 CHALCOGEN-CONTAINING ORGANIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM, AND ORGANIC FIELD-EFFECT TRANSISTOR 国立大学法人 東京大学 2020-03-05 WO 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 (2 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-11974501-B2 Chalcogen-containing organic compound, organic semiconductor material, organic semiconductor film, and organic field-effect transistor SLCO4C1, SLCO2A1, SLCO2B1 HPRT1 1433/4885ALDH1A1 800/4885HSD17B10 2087/4885
US-20210202865-A1 CHALCOGEN-CONTAINING ORGANIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM, AND ORGANIC FIELD-EFFECT TRANSISTOR SLCO4C1, SLCO2A1, SLCO2B1 HPRT1 1433/4885ALDH1A1 800/4885HSD17B10 2087/4885

“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.