SCHEMBL11965282

SCHEMBL11965282

CC[n+]1ccc(/C=C/c2cc(C#N)c(/C=C/c3cc[n+](CC)cc3)cc2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ APOBEC3A P31941 2/20 0.47
▸ APOBEC3G Q9HC16 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CHAT P28329 5/20 0.36
▸ KDM4A O75164 2/20 0.35
▸ KDM2A Q9Y2K7 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 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
SCHEMBL18098645 0.88 MEN1 (0.39) RAB9AAPOBEC3AAPOBEC3GMEN1USP2
SCHEMBL12520800 0.80 MEN1 (0.53) RAB9AAPOBEC3AAPOBEC3GMEN1USP2
SCHEMBL11965044 0.78 RAB9A (0.41) RAB9AAPOBEC3AAPOBEC3GMEN1USP2
SCHEMBL11965047 0.78 MEN1 (0.51) RAB9AAPOBEC3AAPOBEC3GMEN1USP2
SCHEMBL11964504 0.77 APOBEC3A (0.50) RAB9AAPOBEC3AAPOBEC3GMEN1USP2
SCHEMBL12721687 0.76 CHAT (0.35) RAB9AMEN1USP2KMT2ACHAT
SCHEMBL11964547 0.76 RAB9A (0.52) RAB9AAPOBEC3AAPOBEC3GMEN1USP2
SCHEMBL11965045 0.74 MEN1 (0.39) RAB9AAPOBEC3AAPOBEC3GMEN1USP2
SCHEMBL11964551 0.73 RAB9A (0.38) RAB9AAPOBEC3AAPOBEC3GMEN1USP2
SCHEMBL11964546 0.73 MEN1 (0.49) RAB9AAPOBEC3AAPOBEC3GMEN1USP2

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
EP-2488601-B1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT RICOH CO LTD (JP) 2016-09-28 — — EP disclosed
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 1598/4885APOBEC3A 534/4885APOBEC3G 450/4885

“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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