SCHEMBL5751498

SCHEMBL5751498

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(C)c(OC(C)=O)c4ccccc4c3O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
BACE1 P56817 2/20 0.40
HTT P42858 4/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 2/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP2C9 P11712 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 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
SCHEMBL5752713 0.89 BACE1 (0.41) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL15254539 0.88 KDM4E (0.39) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL5750747 0.85 BACE1 (0.38) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL5754594 0.83 BACE1 (0.39) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL5751776 0.83 KDM4E (0.36) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL1845200 0.82 MEN1 (0.35) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL21452904 0.81 ATM (0.42) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL6169861 0.80 ATM (0.41) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL8978512 0.80 ATM (0.41) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL17929220 0.80 ALDH1A1 (0.36) KDM4ENPC1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994871-B1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2006-02-15 EP claimed
US-5658501-A Substituted naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1997-08-19 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-0994871-B1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2006-02-15 EP disclosed
US-5658501-A Substituted naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1997-08-19 US disclosed