SCHEMBL12278261

SCHEMBL12278261

c1csc(-c2cc3cc4ccc5c6cc7sccc7cc6ccc5c4cc3s2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ ESR1 P03372 3/20 0.32
▸ ESR2 Q92731 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ RPS6KB2 Q9UBS0 2/20 0.30
▸ LTA4H P09960 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 1/20 0.30
▸ CCNB2 O95067 1/20 0.30
▸ CDK1 P06493 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
SCHEMBL12277860 0.94 NQO1 (0.32) NQO1NQO2ESR1ESR2KDM4E
SCHEMBL12277817 0.93 KDM4E (0.36) NQO1NQO2KDM4EL3MBTL1NPC1
SCHEMBL12277863 0.86 KDM4E (0.36) NQO1NQO2KDM4EL3MBTL1NPC1
SCHEMBL12278252 0.83 ESR1 (0.51) NQO1NQO2ESR1ESR2
SCHEMBL18177596 0.80 NPC1 (0.34) NQO1NQO2ESR1ESR2NPC1
SCHEMBL12277741 0.79 CYP2A6 (0.39) ALDH1A1
SCHEMBL12278329 0.77 ESR1 (0.51) NQO1NQO2ESR1ESR2
SCHEMBL12277651 0.76 CYP2A6 (0.31) ALDH1A1
SCHEMBL12277804 0.76 CYP2A6 (0.31) —
SCHEMBL148089 0.76 DYRK1A (0.40) ESR1ESR2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785915-B2 Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-22 — — US disclosed
US-8785915-B2 Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-22 — — US disclosed
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME COMPOUND FOR ORGANIC THIN FLIM TRANSISTOR AND ORGANIC THAN FLIM TRANSITOR USING THE SAME (JP) 2011-09-01 — — US disclosed
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME COMPOUND FOR ORGANIC THIN FLIM TRANSISTOR AND ORGANIC THAN FLIM TRANSITOR USING THE SAME (JP) 2011-09-01 — — 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-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME OR10J3, TCF4, CTCF NQO1 3140/4885NQO2 3555/4885ESR1 375/4885

“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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