SCHEMBL12278472

SCHEMBL12278472

c1ccc2cc3cc(-c4cc5cc6ccc7c8cc9sc(-c%10ccc%11cc%12ccccc%12cc%11c%10)cc9cc8ccc7c6cc5s4)ccc3cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.42
▸ ESR1 P03372 8/20 0.41
▸ ESR2 Q92731 8/20 0.41
▸ NQO1 P15559 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ ERN1 O75460 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP1B1 Q16678 3/20 0.35
▸ CYP1A1 P04798 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ GSTP1 P09211 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL12277822 0.97 APP (0.42) APPESR1ESR2NQO1NQO2
SCHEMBL12277767 0.95 APP (0.41) APPESR1ESR2NQO1NQO2
SCHEMBL12278434 0.90 APP (0.42) APPESR1ESR2NQO1NQO2
SCHEMBL12278254 0.85 ESR1 (0.57) APPESR1ESR2NQO1NQO2
SCHEMBL13299932 0.84 APP (0.49) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL12278095 0.83 APP (0.41) APPESR1ESR2NQO1NQO2
SCHEMBL17115805 0.83 APP (0.45) APPESR1ESR2NQO1NQO2
SCHEMBL9976850 0.83 APP (0.50) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL12405207 0.81 APP (0.59) APPESR1ESR2NQO1NQO2
SCHEMBL11959810 0.81 APP (0.62) APPESR1ESR2NQO1NQO2

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
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

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 APP 1248/4885ESR1 375/4885ESR2 1073/4885

“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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