SCHEMBL3158482

SCHEMBL3158482

COc1ccc(C2(c3ccc(-c4ccc(-c5ccc(-c6ccc(C7(c8ccc(OC)cc8)C=Cc8c(ccc9ccccc89)O7)s6)s5)s4)s3)C=Cc3c(ccc4ccccc34)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
ABCG2 Q9UNQ0 4/20 0.34
ABCC1 P33527 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1A1 P04798 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL3158527 0.99 HTT (0.39) HTTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3171908 0.92 SMN1; SMN2 (0.35) HTTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3166977 0.87 KDM4E (0.39) HTTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3153612 0.87 HTT (0.40) HTTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL5615531 0.87 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3157828 0.85 KDM4E (0.39) HTTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL5615321 0.84 SMN1; SMN2 (0.43) HTTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3163518 0.84 MAPT (0.37) HTTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL7862024 0.83 KDM4E (0.34) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL8721095 0.82 KMT2A (0.40) HTTSMN1; SMN2ALDH1A1KDM4EMAPT

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 HTT 569/4885SMN1; SMN2 3433/4885ALDH1A1 2897/4885

“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.