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SCHEMBL4597892

SCHEMBL4597892

COC(=O)c1c(N2CCOCC2)c2c(c3cc(OC)ccc13)OC(c1ccccc1)(c1ccc(OC)cc1)C=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MRGPRX4 Q96LA9 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
SCHEMBL4597600 0.94 MEN1 (0.37) ALDH1A1HSD17B10KDM4ETSHRTP53
SCHEMBL8919915 0.87 MEN1 (0.38) ALDH1A1HSD17B10KDM4ETSHRTP53
SCHEMBL6172997 0.82 PLA2G2A (0.38) ALDH1A1HSD17B10KDM4ETSHRTDP1
SCHEMBL29565668 0.82 PLA2G2A (0.37) ALDH1A1HSD17B10KDM4ETSHRTP53
SCHEMBL4597867 0.82 PLA2G2A (0.37) ALDH1A1HSD17B10KDM4ETSHRTP53
SCHEMBL5551024 0.82 KMT2A (0.42) ALDH1A1HSD17B10KDM4ETSHRTP53
SCHEMBL6131993 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4ETSHRTP53
SCHEMBL5107921 0.80 L3MBTL1 (0.40) ALDH1A1HSD17B10KDM4ETSHRTP53
SCHEMBL5107968 0.79 MAPK8 (0.41) ALDH1A1HSD17B10KDM4ETSHRTP53
SCHEMBL4598124 0.79 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4ETP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877856-A1 PHOTOCHROMIC BLUE LIGHT FILTERING MATERIALS AND OPHTHALMIC DEVICES Bausch & Lomb Incorporated (US) 2008-01-16 — — EP claimed
US-20070159594-A9 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2007-07-12 — — US claimed
WO-2006119328-A1 PHOTOCHROMIC BLUE LIGHT FILTERING MATERIALS AND OPHTHALMIC DEVICES BAUSCH & LOMB INCORPORATED (US) 2006-11-09 — — WO claimed
US-20050254003-A1 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2005-11-17 — — US claimed
US-6353102-B1 FOR OPHTHALMIC LENSES OR CONTACT LENSES PPG INDUSTRIES OHIO, INC. 2002-03-05 — — US claimed
US-10758643-B2 Mechanophoric medical product AESCULAP AG (DE) 2020-09-01 — — US disclosed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 — — EP disclosed
US-20190151502-A1 Mechanophoric Medical Product AESCULAP AG (DE) 2019-05-23 — — US disclosed
EP-3331581-A1 MECHANOPHORIC MEDICAL PRODUCT Aesculap AG (DE) 2018-06-13 — — EP disclosed
WO-2017025408-A1 MECHANOPHORIC MEDICAL PRODUCT AESCULAP AG (DE) 2017-02-16 — — WO disclosed
EP-1877856-A1 PHOTOCHROMIC BLUE LIGHT FILTERING MATERIALS AND OPHTHALMIC DEVICES Bausch & Lomb Incorporated (US) 2008-01-16 — — EP disclosed
US-20070159594-A9 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2007-07-12 — — US disclosed
WO-2006119328-A1 PHOTOCHROMIC BLUE LIGHT FILTERING MATERIALS AND OPHTHALMIC DEVICES BAUSCH & LOMB INCORPORATED (US) 2006-11-09 — — WO disclosed
US-20050254003-A1 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2005-11-17 — — US disclosed
US-6353102-B1 FOR OPHTHALMIC LENSES OR CONTACT LENSES PPG INDUSTRIES OHIO, INC. 2002-03-05 — — US disclosed