SCHEMBL11965044

SCHEMBL11965044

CC[n+]1ccc(/C=C/c2c(C#N)c(C#N)c(/C=C/c3cc[n+](CC)cc3)c(C#N)c2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ KDM4A O75164 4/20 0.36
▸ KDM2A Q9Y2K7 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.33
▸ CHAT P28329 4/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL11965045 0.89 MEN1 (0.39) RAB9AMEN1NPC1USP2APOBEC3A
SCHEMBL11964551 0.87 RAB9A (0.38) RAB9AMEN1NPC1USP2APOBEC3A
SCHEMBL12520800 0.81 MEN1 (0.53) RAB9AMEN1NPC1USP2APOBEC3A
SCHEMBL18098700 0.79 MEN1 (0.30) RAB9AMEN1NPC1USP2APOBEC3A
SCHEMBL11965047 0.79 MEN1 (0.51) RAB9AMEN1NPC1USP2APOBEC3A
SCHEMBL11964503 0.78 RAB9A (0.45) RAB9AMEN1NPC1USP2APOBEC3A
SCHEMBL11965282 0.78 RAB9A (0.47) RAB9AMEN1NPC1USP2APOBEC3A
SCHEMBL11964502 0.77 MEN1 (0.44) RAB9AMEN1NPC1USP2APOBEC3A
SCHEMBL18098698 0.77 MEN1 (0.32) RAB9AMEN1NPC1USP2APOBEC3A
SCHEMBL14194600 0.71 RELA (0.55) RAB9ANPC1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120194894-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT RICOH COMPANY, LTD. (JP) 2012-08-02 — — 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-20120194894-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT EED, EPX, ETV6 RAB9A 1598/4885MEN1 3512/4885NPC1 4528/4885

“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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