SCHEMBL13572446

SCHEMBL13572446

CCCCCCCCCCCCOc1cc(N2C(=O)c3ccc4c5c(Oc6ccc(N(c7ccccc7)c7ccccc7)cc6)cc6c7c(ccc(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 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ PTPN11 Q06124 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ CDC25A P30304 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ CDC25C P30307 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PSEN1 P49768 4/20 0.31
▸ PSEN2 P49810 4/20 0.31
▸ APH1B Q8WW43 4/20 0.31
▸ NCSTN Q92542 4/20 0.31

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
SCHEMBL13572449 0.92 MAPT (0.36) MCHR1ALDH1A1MAPTGAAHTT
SCHEMBL13572447 0.89 PPARA (0.35) MCHR1ALDH1A1MAPTGAAHTT
SCHEMBL14706340 0.88 MCHR1 (0.32) MCHR1ALDH1A1MAPTPPARGPPARD
SCHEMBL6793004 0.86 ALDH1A1 (0.32) MCHR1ALDH1A1MAPTPPARGPPARD
SCHEMBL6787896 0.85 LTA4H (0.40) MCHR1MAPTPPARGPPARDPPARA
SCHEMBL14706338 0.82 GAA (0.38) MCHR1ALDH1A1MAPTGAAHTT
SCHEMBL14706342 0.82 MEN1 (0.33) MCHR1ALDH1A1MAPTLMNAMEN1
SCHEMBL13572450 0.82 ALDH1A1 (0.33) MCHR1ALDH1A1MAPTGAAHTT
SCHEMBL13572451 0.81 GRM5 (0.38) ALDH1A1MAPTGAAHTTPPARG
SCHEMBL14706554 0.79 KMT2A (0.41) MCHR1ALDH1A1MAPTGAAHTT

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 MCHR1 4283/4885ALDH1A1 4796/4885MAPT 936/4885

“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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