SCHEMBL13142452

SCHEMBL13142452

c1ccc2cc3cc(-c4cnc(-c5ccc(-c6ccc(-c7ccc(-c8ncc(-c9ccc%10cc%11ccccc%11cc%10c9)s8)s7)s6)s5)s4)ccc3cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HSD17B1 P14061 3/20 0.43
▸ HSD17B2 P37059 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ DHFR P00374 1/20 0.39
▸ SNCA P37840 1/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ DCTPP1 Q9H773 1/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ PIM3 Q86V86 2/20 0.35

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
SCHEMBL13142450 1.00 HDAC4 (0.44) HDAC4HDAC6HSD17B1HSD17B2CYP3A4
SCHEMBL13142451 0.98 HDAC4 (0.45) HDAC4HDAC6HSD17B1HSD17B2CYP3A4
SCHEMBL13142454 0.95 HDAC4 (0.46) HDAC4HDAC6HSD17B1HSD17B2CYP3A4
SCHEMBL13142441 0.90 HSD17B1 (0.47) HDAC4HDAC6HSD17B1HSD17B2CYP3A4
SCHEMBL13142461 0.89 HSD17B1 (0.47) HDAC4HDAC6HSD17B1HSD17B2CYP3A4
SCHEMBL13142468 0.89 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9DHFR
SCHEMBL13142444 0.89 HSD17B1 (0.54) HDAC4HDAC6HSD17B1HSD17B2CYP3A4
SCHEMBL13142442 0.89 HSD17B1 (0.50) HDAC4HDAC6HSD17B1HSD17B2CYP3A4
SCHEMBL13142445 0.89 HSD17B1 (0.54) HDAC4HDAC6HSD17B1HSD17B2CYP3A4
SCHEMBL10013475 0.87 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9DHFR

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 HDAC4 2166/4885HDAC6 3648/4885HSD17B1 700/4885

“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.

Send feedback