SCHEMBL3034775

SCHEMBL3034775

CCCCCc1ccc(-c2ccc(-c3cc4c(c5ccccc35)C=CC(c3ccc(F)cc3)(c3ccc(N5CCCC5)cc3)O4)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
HTR1A P08908 3/20 0.34
HTR2A P28223 3/20 0.34
DRD3 P35462 3/20 0.34
DRD2 P14416 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
S1PR1 P21453 1/20 0.32
CNR1 P21554 2/20 0.32
IKBKB O14920 1/20 0.32
RARB P10826 1/20 0.32
ELOVL1 Q9BW60 1/20 0.32
DRD4 P21917 1/20 0.31
SLC6A4 P31645 1/20 0.31
AVPR2 P30518 1/20 0.30
OXTR P30559 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
SCHEMBL3027348 0.94 HRH3 (0.36) HRH3S1PR1CNR1RARBAVPR2
SCHEMBL3031793 0.94 HRH3 (0.38) HRH3S1PR1CNR1RARBAVPR2
SCHEMBL13694878 0.93 S1PR1 (0.36) HRH3S1PR1CNR1RARBAVPR2
SCHEMBL13219241 0.91 HRH3 (0.33) HRH3S1PR1RARB
SCHEMBL3026766 0.89 RARB (0.36) HTR2ARARB
SCHEMBL3037388 0.85 PTGDR (0.38)
SCHEMBL13219237 0.84 HRH3 (0.33) HRH3RARBAVPR2OXTRAVPR1A
SCHEMBL3037414 0.83 TP53 (0.37) HRH3HRH1
SCHEMBL3036691 0.82 THRA (0.37) HRH3DRD3DRD2HRH1DRD4
SCHEMBL13694880 0.80 HTR7 (0.32)

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 5 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 disclosed
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 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
EP-2066650-A1 3H-NAPHTH0 [2, 1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2009-06-10 EP 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 HRH3 533/4885HTR1A 367/4885HTR2A 1673/4885

“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.