SCHEMBL4037029

SCHEMBL4037029

COC(=O)c1cc(OC(C)=O)c2cc3c(cc2c1-c1ccccc1)CCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.40
FABP3 P05413 3/20 0.40
FABP5 Q01469 2/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6131960 0.90 KDM4E (0.46) KDM4EALDH1A1MAPTMEN1TP53
SCHEMBL14848072 0.85 NPC1 (0.41) FABP4FABP3FABP5KDM4EALDH1A1
SCHEMBL1332988 0.81 KDM4E (0.46) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL31435276 0.81 KDM4E (0.46) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL1009498 0.79 TSHR (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1011786 0.79 DHODH (0.45) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL6131949 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1TP53
SCHEMBL9899016 0.78 NR4A2 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL9899201 0.77 NR4A2 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3151462 0.76 MAPK8 (0.47) ALDH1A1MEN1KMT2AGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558603-B1 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS INSIGHT EQUITY A P X LP (US) 2015-07-22 EP disclosed
EP-2578589-A1 Oxygen-containing heterocyclic fused naphthopyrans having photochromic properties Insight Equity A.P.X., LP (US) 2013-04-10 EP disclosed
EP-1558603-A4 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS INSIGHT EQUITY A P X LP (US) 2009-03-18 EP disclosed
US-7074943-B2 Oxygen-containing heterocyclic fused naphthopyrans VISION-EASE LENS (US) 2006-07-11 US disclosed
EP-1446406-B1 PHOTOCHROMIC NAPHTHOPYRANS FOR OPHTHALMIC ARTICLES VISION EASE LENS INC (US) 2006-03-29 EP disclosed
US-7008568-B2 Photochromic naphthopyran compounds: compositions and articles containing those naphthopyran compounds VISION-EASE LENS, INC. (US) 2006-03-07 US disclosed
US-20060030673-A1 Oxygen-containing heterocyclic fused naphthopyrans HOYA OPTICAL LABS OF AMERICA, INC. 2006-02-09 US disclosed
US-6963003-B2 Oxygen-containing heterocyclic fused naphthopyrans VISION-EASE LANE (US) 2005-11-08 US disclosed
EP-1558603-A2 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS Vision-Ease Lens, Inc. (US) 2005-08-03 EP disclosed
US-20040215024-A1 Oxygen-containing heterocyclic fused naphthopyrans VISION-EASE LENS, INC. 2004-10-28 US disclosed
EP-1446406-A2 PHOTOCHROMIC NAPHTHOPYRANS FOR OPHTHALMIC ARTICLES Vision-Ease Lens, Inc. (US) 2004-08-18 EP disclosed
WO-2004047674-A2 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS VISION-EASE LENS, INC. (US) 2004-06-10 WO disclosed
US-20030146419-A1 Photochromic naphthopyran compounds: compositions and articles containing those naphthopyran compounds VISION-EASE LENS, INC. 2003-08-07 US disclosed
WO-2003044022-A2 PHOTOCHROMIC NAPHTHOPYRAN FOR OPHTHALMIC ARTICLES VISION-EASE LENS, INC. (US) 2003-05-30 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 (2 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-20060030673-A1 Oxygen-containing heterocyclic fused naphthopyrans NQO1, NFE2L2, NDUFV2 FABP4 2826/4885FABP3 3945/4885FABP5 1992/4885
US-20040215024-A1 Oxygen-containing heterocyclic fused naphthopyrans NQO1, NFE2L2, NDUFV2 FABP4 2896/4885FABP3 3917/4885FABP5 2027/4885

“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.