SCHEMBL3166254

SCHEMBL3166254

C1=CC(c2ccc3ccccc3c2)(c2ccc(-c3cccs3)s2)Oc2ccc3ccccc3c21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3166977 0.92 KDM4E (0.39) HPGDKDM4EMEN1NPC1ALDH1A1
SCHEMBL3171908 0.89 SMN1; SMN2 (0.35) HPGDKDM4EMEN1NPC1ALDH1A1
SCHEMBL3157828 0.81 KDM4E (0.39) HPGDKDM4EMEN1NPC1ALDH1A1
SCHEMBL3153612 0.81 HTT (0.40) HPGDKDM4EMEN1NPC1ALDH1A1
SCHEMBL3158527 0.81 HTT (0.39) HPGDKDM4EMEN1NPC1ALDH1A1
SCHEMBL3158482 0.80 HTT (0.38) HPGDKDM4EMEN1NPC1ALDH1A1
SCHEMBL7868663 0.80 PGR (0.33)
SCHEMBL7862024 0.79 KDM4E (0.34) HPGDKDM4EMEN1NPC1ALDH1A1
SCHEMBL7862035 0.77 PGR (0.32)
SCHEMBL9056690 0.77 KDM4E (0.44) HPGDKDM4EMEN1NPC1ALDH1A1

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 7 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 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 HPGD 575/4885KDM4E 2154/4885MEN1 3447/4885

“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.