SCHEMBL13142468

SCHEMBL13142468

c1ccc2cc3cc(-c4ncc(-c5ccc(-c6ccc(-c7cnc(-c8ccc9cc%10ccccc%10cc9c8)s7)s6)s5)s4)ccc3cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.45
▸ HSD17B2 P37059 3/20 0.45
▸ CYP2C9 P11712 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ DHFR P00374 1/20 0.40
▸ SNCA P37840 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HPGDS O60760 2/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CYP11B1 P15538 3/20 0.37

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
SCHEMBL10013479 0.92 HSD17B1 (0.49) HSD17B1HSD17B2CYP2C9CYP3A4SNCA
SCHEMBL13142444 0.90 HSD17B1 (0.54) HSD17B1HSD17B2CYP2C9CYP3A4DHFR
SCHEMBL13142445 0.90 HSD17B1 (0.54) HSD17B1HSD17B2CYP2C9CYP3A4DHFR
SCHEMBL13142452 0.89 HDAC4 (0.44) HSD17B1HSD17B2CYP2C9CYP3A4DHFR
SCHEMBL13142450 0.89 HDAC4 (0.44) HSD17B1HSD17B2CYP2C9CYP3A4DHFR
SCHEMBL10013474 0.89 HSD17B1 (0.53) HSD17B1HSD17B2CYP2C9CYP3A4DHFR
SCHEMBL10013475 0.89 HSD17B1 (0.53) HSD17B1HSD17B2CYP2C9CYP3A4DHFR
SCHEMBL13142451 0.87 HDAC4 (0.45) HSD17B1HSD17B2CYP2C9CYP3A4DHFR
SCHEMBL13142442 0.87 HSD17B1 (0.50) HSD17B1HSD17B2CYP2C9CYP3A4DHFR
SCHEMBL10013468 0.86 PGR (0.41) HSD17B1HSD17B2CYP2C9CYP3A4SNCA

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 1234/4885CYP2C9 1043/4885

“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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