SCHEMBL3037071

SCHEMBL3037071

COc1cc2c(-c3ccc(-c4ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc4)cc3)cc3c(c2cc1OC)C=CC(c1ccccc1)(c1ccc(N2CCCC2)cc1)O3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
S1PR1 P21453 1/20 0.34
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
STAT6 P42226 1/20 0.32
NTSR1 P30989 1/20 0.32
MAPT P10636 4/20 0.31
POLB P06746 3/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL3039685 0.87 ACHE (0.40) ACHES1PR1KDM4EALDH1A1HPGD
SCHEMBL3207524 0.86 ACHE (0.41) ACHES1PR1KDM4EALDH1A1HPGD
SCHEMBL12022729 0.86 ACHE (0.40) ACHES1PR1KDM4EALDH1A1HPGD
SCHEMBL14922181 0.84 ACHE (0.36) ACHES1PR1NTSR1
SCHEMBL13219248 0.84 ACHE (0.36) ACHENTSR1
SCHEMBL13219244 0.84 HRH3 (0.37) ACHES1PR1NTSR1
Methylene Chloride SCHEMBL3209457 0.83 ACHE (0.39) ACHES1PR1KDM4EALDH1A1HPGD
Methylene Chloride SCHEMBL3037402 0.83 ACHE (0.38) ACHES1PR1KDM4EALDH1A1HPGD
SCHEMBL3036600 0.81 ACHE (0.36) ACHES1PR1
SCHEMBL13488497 0.80 ACHE (0.34) ACHES1PR1ALDH1A1HPGDSMN1; SMN2

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 8 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
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
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-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

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 ACHE 2340/4885S1PR1 453/4885KDM4E 4579/4885
US-20100202033-A1 3H-NAPHTH0 [2,1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM NR0B1, NR0B2, NR4A1 ACHE 838/4885S1PR1 932/4885KDM4E 4455/4885

“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.