SCHEMBL3171908

SCHEMBL3171908

COc1ccc(C2(c3ccc(-c4cccs4)s3)C=Cc3c(ccc4ccccc34)O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 7/20 0.33
KDM4E B2RXH2 6/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
NPC1 O15118 5/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
GBA1 P04062 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 4/20 0.33
PKM P14618 2/20 0.33
PDE10A Q9Y233 1/20 0.32
DPP4 P27487 1/20 0.32
ABCC1 P33527 2/20 0.31
ABCG2 Q9UNQ0 2/20 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
SCHEMBL3158527 0.93 HTT (0.39) SMN1; SMN2HTTMAPTKDM4EMEN1
SCHEMBL3158482 0.92 HTT (0.38) SMN1; SMN2HTTMAPTKDM4EMEN1
SCHEMBL7862024 0.89 KDM4E (0.34) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL3166254 0.89 HPGD (0.35) SMN1; SMN2HTTMAPTKDM4EMEN1
SCHEMBL3163518 0.87 MAPT (0.37) SMN1; SMN2HTTMAPTKDM4EMEN1
SCHEMBL3153612 0.82 HTT (0.40) SMN1; SMN2HTTMAPTKDM4EMEN1
SCHEMBL5615531 0.82 ALDH1A1 (0.43) SMN1; SMN2HTTMAPTKDM4EMEN1
SCHEMBL3166977 0.80 KDM4E (0.39) SMN1; SMN2HTTMAPTKDM4EMEN1
SCHEMBL3157828 0.80 KDM4E (0.39) SMN1; SMN2HTTMAPTKDM4EMEN1
SCHEMBL5615321 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HTTMAPTKDM4EMEN1

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 SMN1; SMN2 3433/4885HTT 569/4885MAPT 999/4885

“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.