SCHEMBL3039044

SCHEMBL3039044

CCCCCCOc1ccc(C2(c3ccc(N4CCC(C)CC4)cc3)C=Cc3c(cc(-c4ccc(-c5ccc(O)cc5)cc4)c4ccccc34)O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.37
MAPT P10636 1/20 0.36
ALDH2 P05091 1/20 0.36
NR5A1 Q13285 1/20 0.35
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34
ME3 Q16798 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ESR1 P03372 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HPGD P15428 1/20 0.33
MAOB P27338 2/20 0.33
CHEK1 O14757 1/20 0.33
LTA4H P09960 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
SCHEMBL3040921 0.96 MAPT (0.39) HRH3MAPTTHRATHRBDRD2
SCHEMBL3210078 0.91 HRH3 (0.36) HRH3MAPTALDH2NR5A1ESR1
SCHEMBL3213924 0.90 HRH3 (0.38) HRH3MAPTTHRATHRBHPGD
SCHEMBL3207189 0.90 HRH3 (0.38) HRH3MAPTTHRATHRBESR1
SCHEMBL13239925 0.89 NPY1R (0.35) MAPTME3HPGD
SCHEMBL3042124 0.88 HRH3 (0.33) HRH3MAPTHPGD
SCHEMBL3036691 0.87 THRA (0.37) HRH3THRATHRBDRD2DRD4
SCHEMBL3032436 0.85 SLC6A2 (0.36) HRH3MAPTTHRATHRBESR1
SCHEMBL13488648 0.85 NPSR1 (0.33) MAPT
SCHEMBL3037414 0.85 TP53 (0.37) HRH3THRATHRBLTA4H

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 9 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
US-8436184-B2 6-(biphenyl-ester)-3H-naphtho[2,1-b]pyrans as photochromic dichroic dyes and optical article containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE (FR) 2013-05-07 US disclosed
US-8436184-B2 6-(biphenyl-ester)-3H-naphtho[2,1-b]pyrans as photochromic dichroic dyes and optical article containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE (FR) 2013-05-07 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
US-20100039688-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[2,1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (FR) 2010-02-18 US disclosed
US-20100039688-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[2,1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (FR) 2010-02-18 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 (2 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-20100039688-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[2,1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM NR0B1, CBR1, NR0B2 HRH3 619/4885MAPT 4476/4885ALDH2 1888/4885
US-20100202033-A1 3H-NAPHTH0 [2,1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM NR0B1, NR0B2, NR4A1 HRH3 533/4885MAPT 4224/4885ALDH2 1198/4885

“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.