SCHEMBL671694

SCHEMBL671694

Cc1cc(CC(CCOCCOCCc2c(CCC(=O)O)cc(C)c(O)c2C(C)(C)C)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
CPA3 P15088 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
HMGCR P04035 2/20 0.30
VCAM1 P19320 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30232797 0.88 GAA (0.39) CPA3PTGESALOX5PPARGHMGCR
SCHEMBL30232599 0.84 HMGCR (0.40) NPSR1PTGESALOX5PPARGHMGCR
SCHEMBL106873 0.84 HMGCR (0.40) NPSR1PTGESALOX5PPARGHMGCR
SCHEMBL16507180 0.83 NPSR1 (0.50) NPSR1PPARGVCAM1
SCHEMBL29409721 0.81 HSPA5 (0.38) NPSR1CPA3PTGESALOX5PPARG
SCHEMBL18783187 0.80 GAA (0.37) CPA3PTGESALOX5PPARGHMGCR
SCHEMBL3251285 0.79 HMGCR (0.39) NPSR1PTGESALOX5PPARGHMGCR
SCHEMBL8954729 0.78 HMGCR (0.46) NPSR1PTGESALOX5PPARGHMGCR
SCHEMBL11619679 0.77 HMGCR (0.47) NPSR1PTGESALOX5PPARGHMGCR
SCHEMBL29228065 0.76 CYP1A2 (0.45) NPSR1HMGCRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330751-B1 METHOD OF PRODUCING A PHOTOCHROMIC LAMINATE TOKUYAMA CORP (JP) 2021-05-26 EP disclosed
EP-2966102-B1 CURABLE PHOTOCHROMIC COMPOSITION, CURED PRODUCT THEREOF, AND LAMINATE INCLUDING CURED PRODUCT TOKUYAMA CORP (JP) 2019-03-27 EP disclosed
US-20180251657-A1 PRIMER COMPOSITION AND PHOTOCHROMIC LAMINATE TOKUYAMA CORPORATION (JP) 2018-09-06 US disclosed
US-20180244931-A1 PHOTOCHROMIC COATING COMPOSITION TOKUYAMA CORPORATION (JP) 2018-08-30 US disclosed
EP-3333602-A1 PRIMER COMPOSITION AND PHOTOCHROMIC LAYERED BODY Tokuyama Corporation (JP) 2018-06-13 EP disclosed
EP-3330751-A1 PHOTOCHROMIC COATING COMPOSITION Tokuyama Corporation (JP) 2018-06-06 EP disclosed
US-9890324-B2 Photochromic curable composition, cured product thereof and laminate including the cured product TOKUYAMA CORPORATION (JP) 2018-02-13 US disclosed
EP-2966144-B1 PHOTOCHROMIC CURABLE COMPOSITION TOKUYAMA CORP (JP) 2017-10-25 EP disclosed
EP-2966144-A1 PHOTOCHROMIC CURABLE COMPOSITION Tokuyama Corporation (JP) 2016-01-13 EP disclosed
EP-2966102-A1 CURABLE PHOTOCHROMIC COMPOSITION, CURED PRODUCT THEREOF, AND LAMINATE INCLUDING CURED PRODUCT Tokuyama Corporation (JP) 2016-01-13 EP disclosed
US-20160002524-A1 PHOTOCHROMIC CURABLE COMPOSITION, CURED PRODUCT THEREOF AND LAMINATE INCLUDING THE CURED PRODUCT TOKUYAMA CORPORATION (JP) 2016-01-07 US disclosed
US-20150368552-A1 PHOTOCHROMIC CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2015-12-24 US disclosed
EP-2843025-A1 PHOTOCHROMIC CURABLE COMPOSITION Tokuyama Corporation (JP) 2015-03-04 EP disclosed
US-20150030866-A1 PHOTOCHROMIC CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2015-01-29 US disclosed
US-8066917-B2 Photochromic curable composition TOKUYAMA CORPORATION (JP) 2011-11-29 US disclosed
US-20100230650-A1 PHOTOCHROMIC CURABLE COMPOSITION GULFSTREAM INC. (CA) 2010-09-16 US disclosed
EP-2221325-A1 PHOTOCHROMIC CURABLE COMPOSITION Tokuyama Corporation (JP) 2010-08-25 EP 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 (3 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-20150368552-A1 PHOTOCHROMIC CURABLE COMPOSITION H1-0, CDH1, COL1A1 NPSR1 3766/4885CPA3 4339/4885PTGES 196/4885
US-20180244931-A1 PHOTOCHROMIC COATING COMPOSITION CDH1, RPA3, VIM NPSR1 3049/4885CPA3 2132/4885PTGES 1817/4885
US-20150030866-A1 PHOTOCHROMIC CURABLE COMPOSITION CRYAA, AHCY, WDR1 NPSR1 4386/4885CPA3 3456/4885PTGES 448/4885

“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.