SCHEMBL6131950

SCHEMBL6131950

COC(=O)c1c2c(c3cc(OC)c(OC)cc3c1-c1ccccc1)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
EIF4A1 P60842 3/20 0.38
ATM Q13315 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK8 P45983 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.34
PLA2G2A P14555 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL6169985 0.91 L3MBTL1 (0.43) L3MBTL1TP53THRBEIF4A1ATM
SCHEMBL6131970 0.90 L3MBTL1 (0.45) L3MBTL1ATMALDH1A1KMT2ATDP1
SCHEMBL6131971 0.89 L3MBTL1 (0.41) L3MBTL1EIF4A1ATMCYP3A4ALDH1A1
SCHEMBL6131933 0.88 KMT2A (0.34) L3MBTL1TP53THRBEIF4A1SMN1; SMN2
SCHEMBL5107968 0.88 MAPK8 (0.41) L3MBTL1TP53THRBATMSMN1; SMN2
SCHEMBL6131993 0.88 ALDH1A1 (0.36) L3MBTL1TP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL6131952 0.87 SLC10A2 (0.41) L3MBTL1ALDH1A1KMT2A
SCHEMBL5107921 0.87 L3MBTL1 (0.40) L3MBTL1TP53THRBATMSMN1; SMN2
SCHEMBL6132018 0.86 L3MBTL1 (0.41) L3MBTL1EIF4A1ATMSMN1; SMN2ALDH1A1
SCHEMBL6131983 0.86 L3MBTL1 (0.42) L3MBTL1TP53ATMSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214310-B1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-04-27 EP 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-1214310-B1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-04-27 EP disclosed
US-6348604-B1 COMPOUNDS IN WHICH SELECTION AND PLACEMENT OF SUBSTITUENTS CONTROL WAVELENGTH AND/OR INTENSITY OF VISIBLE ABSORBANCE BANDS PPG INDUSTRIES OHIO, INC. 2002-02-19 US disclosed