SCHEMBL13142456

SCHEMBL13142456

c1ccc2cc3cc(-c4cnc(-c5cc6cc7sc(-c8ncc(-c9ccc%10cc%11ccccc%11cc%10c9)s8)cc7cc6s5)s4)ccc3cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.40
▸ HSD17B2 P37059 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ APP P05067 2/20 0.36
▸ SNCA P37840 1/20 0.35
▸ ESR1 P03372 4/20 0.35
▸ ESR2 Q92731 4/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ PIM1 P11309 2/20 0.33
▸ PIM3 Q86V86 2/20 0.33
▸ PIM2 Q9P1W9 2/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP19A1 P11511 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
SCHEMBL13142455 0.91 HSD17B1 (0.42) HSD17B1HSD17B2CYP3A4CYP2C9HDAC4
SCHEMBL25165229 0.88 CYP19A1 (0.35) HSD17B1HSD17B2CYP3A4CYP2C9HDAC4
SCHEMBL25165769 0.87 HSD17B1 (0.40) HSD17B1HSD17B2CYP3A4CYP2C9APP
SCHEMBL13142441 0.86 HSD17B1 (0.47) HSD17B1HSD17B2CYP3A4CYP2C9HDAC4
SCHEMBL13142451 0.85 HDAC4 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9HDAC4
SCHEMBL13142461 0.85 HSD17B1 (0.47) HSD17B1HSD17B2CYP3A4CYP2C9HDAC4
SCHEMBL13142444 0.85 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9HDAC4
SCHEMBL13142442 0.85 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9HDAC4
SCHEMBL13142445 0.85 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9HDAC4
SCHEMBL13142450 0.84 HDAC4 (0.44) HSD17B1HSD17B2CYP3A4CYP2C9HDAC4

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-7795443-B2 Compound and organic thin film transistor CANON KABUSHIKI KAISHA (JP) 2010-09-14 — — US disclosed
US-7795443-B2 Compound and organic thin film transistor CANON KABUSHIKI KAISHA (JP) 2010-09-14 — — US disclosed
US-20080241594-A1 NOVEL COMPOUND AND ORGANIC THIN FILM TRANSISTOR CANON KABUSHIKI KAISHA (JP) 2008-10-02 — — US disclosed
US-20080241594-A1 NOVEL COMPOUND AND ORGANIC THIN FILM TRANSISTOR CANON KABUSHIKI KAISHA (JP) 2008-10-02 — — 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-20080241594-A1 NOVEL COMPOUND AND ORGANIC THIN FILM TRANSISTOR TMX1, TCOF1, TTI1 HSD17B1 700/4885HSD17B2 1234/4885CYP3A4 501/4885

“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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