SCHEMBL13572449

SCHEMBL13572449

CCCCCCCCCCCCOc1cc(N2C(=O)c3cc(Oc4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c5c(Oc6ccc(N(c7ccccc7)c7ccccc7)cc6)cc6c7c(cc(Oc8ccc(N(c9ccccc9)c9ccccc9)cc8)c(c8c(Oc9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9)cc(c3c48)C2=O)c75)C(=O)N(c2cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)C6=O)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PPARA Q07869 4/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PPARD Q03181 3/20 0.36
▸ LTA4H P09960 2/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ PTPN11 Q06124 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PTPN1 P18031 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ CDC25C P30307 1/20 0.32

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
SCHEMBL6787896 0.92 LTA4H (0.40) MAPTPPARAPPARGPPARDLTA4H
SCHEMBL13572446 0.92 MCHR1 (0.35) MAPTALDH1A1GAAHTTPPARA
SCHEMBL13572451 0.88 GRM5 (0.38) MAPTALDH1A1GAAHTTPPARA
SCHEMBL6792781 0.85 ALDH1A1 (0.34) MAPTALDH1A1PPARAPPARGPPARD
SCHEMBL14706338 0.82 GAA (0.38) MAPTALDH1A1GAAHTTPPARA
SCHEMBL13572447 0.81 PPARA (0.35) MAPTALDH1A1GAAHTTPPARA
SCHEMBL14706340 0.79 MCHR1 (0.32) MAPTALDH1A1PPARAPPARGPPARD
SCHEMBL6793004 0.78 ALDH1A1 (0.32) MAPTALDH1A1PPARAPPARGPPARD
SCHEMBL14706555 0.77 MEN1 (0.41) MAPTALDH1A1HTTMCHR1MEN1
SCHEMBL14706336 0.77 PPARG (0.36) MAPTALDH1A1PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378336-B2 Liquid crystalline organic semiconductor material and organic electron device FUJIFILM CORPORATION (JP) 2013-02-19 — — US disclosed
US-20090315025-A1 LIQUID CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC ELECTRON DEVICE FUJIFILM CORPORATION (JP) 2009-12-24 — — 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-20090315025-A1 LIQUID CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC ELECTRON DEVICE NONO, OCIAD2, PNN MAPT 936/4885ALDH1A1 4796/4885GAA 3777/4885

“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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