SCHEMBL3033599

SCHEMBL3033599

COc1ccc(-c2ccc(-c3cc(OC)cc4ccccc34)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 1/20 0.56
ABL1 P00519 2/20 0.56
ABCB1 P08183 2/20 0.56
BCR P11274 2/20 0.56
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GPR84 Q9NQS5 1/20 0.51
CYP2A6 P11509 1/20 0.50

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
SCHEMBL16810259 0.89 ACACA (0.55) ACACAABL1ABCB1BCRCYP1A2
SCHEMBL13241182 0.88 CYP1A2 (0.49) ACACAABL1ABCB1BCRCYP1A2
SCHEMBL13241145 0.85 ACACA (0.55) ACACAABL1ABCB1BCRCYP1A2
SCHEMBL4231402 0.81 KDM4E (0.44) ACACAABL1BCRCYP1A2CYP3A4
SCHEMBL1890032 0.80 PPARG (0.56) ACACAABL1ABCB1BCRCYP1A2
SCHEMBL27335273 0.80 GPR84 (0.52) ACACAABL1ABCB1BCRCYP11B1
SCHEMBL13241180 0.79 MAOB (0.49) ACACACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13408700 0.79 ACACA (0.59) ACACAABL1ABCB1BCRCYP1A2
SCHEMBL13251116 0.78 ACACA (0.51) ACACAABL1ABCB1BCRCYP1A2
SCHEMBL13251158 0.78 ACACA (0.51) ACACAABL1ABCB1BCRCYP1A2

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 22 patents — showing the first 20. 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-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-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
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
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-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-2066651-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[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
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
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
WO-2008029194-A1 6-(BIPHENYL-ESTER) -3H-NAPHTHO [2, 1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM Essilor International (Compagnie Générale d'Optique) (FR) 2008-03-13 WO disclosed
WO-2008029194-A1 6-(BIPHENYL-ESTER) -3H-NAPHTHO [2, 1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM Essilor International (Compagnie Générale d'Optique) (FR) 2008-03-13 WO disclosed
WO-2008028930-A1 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) 2008-03-13 WO disclosed
WO-2008028930-A1 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) 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 ACACA 993/4885ABL1 4355/4885ABCB1 1756/4885
US-20100202033-A1 3H-NAPHTH0 [2,1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM NR0B1, NR0B2, NR4A1 ACACA 1142/4885ABL1 4608/4885ABCB1 1589/4885

“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.