SCHEMBL3166406

SCHEMBL3166406

Fc1ccccc1C1(c2ccc(-c3ccc(C4(c5ccccc5F)C=Cc5c(ccc6ccccc56)O4)s3)s2)C=Cc2c(ccc3ccccc23)O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL3162160 0.99 KDM4E (0.38) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL3157828 0.84 KDM4E (0.39) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL3160917 0.84 KDM4E (0.39) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL3153612 0.80 HTT (0.40) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL3166977 0.80 KDM4E (0.39) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL4581554 0.79 KDM4E (0.40) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL5097862 0.78 KDM4E (0.40) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL3158527 0.77 HTT (0.39) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL9260925 0.76 KDM4E (0.38) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL3158482 0.76 HTT (0.38) KDM4EMEN1NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423387-B1 PHOTOCHROMIC BIS-NAPHTHOPYRAN COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INT (FR) 2010-03-17 EP claimed
US-6939007-B2 Photochromic bis-naphthopyran compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2005-09-06 US claimed
US-6747145-B2 COUPLING A PROPARGYL ALCOHOL WITH A NAPHTHOL IN THE PRESENCE OF A CATALYTIC AMOUNT OF AN ACID, A SOLVENT AND 3 ANGSTROM MOLECULAR SIEVE TO GENERATE NAPHTHOPYRAN COMPOUND JOHNSON & JOHNSON VISION CARE, INC. 2004-06-08 US claimed
US-20040084660-A1 Photochromic bis-naphthopyran compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-05-06 US claimed
US-20030078441-A1 Photochromic bis-naphthopyran compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2003-04-24 US claimed
EP-1423387-B1 PHOTOCHROMIC BIS-NAPHTHOPYRAN COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INT (FR) 2010-03-17 EP disclosed
US-6939007-B2 Photochromic bis-naphthopyran compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2005-09-06 US disclosed
US-6747145-B2 COUPLING A PROPARGYL ALCOHOL WITH A NAPHTHOL IN THE PRESENCE OF A CATALYTIC AMOUNT OF AN ACID, A SOLVENT AND 3 ANGSTROM MOLECULAR SIEVE TO GENERATE NAPHTHOPYRAN COMPOUND JOHNSON & JOHNSON VISION CARE, INC. 2004-06-08 US disclosed
EP-1423387-A1 PHOTOCHROMIC BIS-NAPHTHOPYRAN COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-06-02 EP disclosed
US-20040084660-A1 Photochromic bis-naphthopyran compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-05-06 US disclosed
US-20030078441-A1 Photochromic bis-naphthopyran compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2003-04-24 US disclosed
WO-2003020718-A1 PHOTOCHROMIC BIS-NAPHTHOPYRAN COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-03-13 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-20030078441-A1 Photochromic bis-naphthopyran compounds and methods for their manufacture CRY1, NQO1, G6PD KDM4E 2154/4885MEN1 3447/4885NPC1 3804/4885

“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.