SCHEMBL7897258

SCHEMBL7897258

CCCCOc1ccc(C2=C(c3ccc(OC)cc3)OC(C)(C)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
CYP19A1 P11511 7/20 0.39
CYP2C9 P11712 5/20 0.39
CYP2C19 P33261 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 5/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 2/20 0.38
AHR P35869 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL12188829 1.00 PTGS2 (0.41) PTGS2CYP19A1CYP2C9CYP2C19CYP1A2
SCHEMBL7888505 0.88 CYP2D6 (0.57) CYP19A1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL12188718 0.88 CYP2D6 (0.57) CYP19A1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL7897924 0.86 ALDH1A1 (0.44) MAPTHPGDL3MBTL1HRH2HRH1
SCHEMBL1419896 0.81 GSTP1 (0.46) NPC1RAB9A
SCHEMBL286545 0.81 GSTP1 (0.46) NPC1RAB9A
SCHEMBL1419877 0.81 ESR2 (0.50) CYP2C9CYP2C19CYP2D6CYP3A4MAPT
SCHEMBL286649 0.81 ESR2 (0.50) CYP2C9CYP2C19CYP2D6CYP3A4MAPT
SCHEMBL8000991 0.80 LMNA (0.42) CYP19A1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL6995696 0.79 GSK3B (0.50) PTGS2CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
EP-2427454-B1 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS INC (US) 2013-03-20 EP disclosed
US-8343973-B2 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
WO-2010128995-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2010-11-11 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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A PTGS2 130/4885CYP19A1 828/4885CYP2C9 193/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A PTGS2 130/4885CYP19A1 828/4885CYP2C9 193/4885

“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.