SCHEMBL3036600

SCHEMBL3036600

CCCCN(CCCC)c1ccc(-c2ccc(-c3cc4c(c5cc(OC)c(OC)cc35)C=CC(c3ccccc3)(c3ccc(N5CCCC5)cc3)O4)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
S1PR1 P21453 1/20 0.31
DPP4 P27487 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
Butanone SCHEMBL3027451 0.95 ACHE (0.34) ACHE
SCHEMBL13694880 0.91 HTR7 (0.32)
SCHEMBL13219248 0.87 ACHE (0.36) ACHE
SCHEMBL13219244 0.86 HRH3 (0.37) ACHES1PR1
SCHEMBL3039685 0.85 ACHE (0.40) ACHES1PR1
SCHEMBL3207524 0.84 ACHE (0.41) ACHES1PR1
SCHEMBL14922181 0.84 ACHE (0.36) ACHES1PR1
SCHEMBL12022729 0.84 ACHE (0.40) ACHES1PR1
Methylene Chloride SCHEMBL3209457 0.83 ACHE (0.39) ACHES1PR1
Methylene Chloride SCHEMBL3037402 0.82 ACHE (0.38) ACHES1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249136-B2 3H-naphtho [2,1-B] pyrans as photochromic dichroic dyes and optical article containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-02-02 US claimed
EP-2066650-B1 3H-NAPHTHO[2,1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INT (FR) 2011-12-21 EP claimed
US-20100202033-A1 3H-NAPHTH0 [2,1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D' OPTIQUE) (FR) 2010-08-12 US claimed
US-9249136-B2 3H-naphtho [2,1-B] pyrans as photochromic dichroic dyes and optical article containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-02-02 US disclosed
US-20100202033-A1 3H-NAPHTH0 [2,1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D' OPTIQUE) (FR) 2010-08-12 US disclosed
WO-2008030226-A1 3H-NAPHTH0 [2, 1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2008-03-13 WO 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-20100202033-A1 3H-NAPHTH0 [2,1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM NR0B1, NR0B2, NR4A1 ACHE 838/4885S1PR1 932/4885DPP4 2470/4885

“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.