SCHEMBL8577211

SCHEMBL8577211

COc1cccc(C(=O)N(C)OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HPGD P15428 1/20 0.48
NFE2L2 Q16236 2/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR2 P34972 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8568150 0.86 RAB9A (0.55) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL4100042 0.85 ALDH1A1 (0.45) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL30534176 0.85 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL1436251 0.85 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL307126 0.84 CTSD (0.51) RAB9ASMN1; SMN2NPC1HPGDHTT
SCHEMBL4804041 0.83 KAT6A (0.47) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL4098911 0.83 TAS1R3 (0.49) ALDH1A1TP53MAPTMAPK1HPGD
SCHEMBL13265349 0.83 ABCB1 (0.46) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL1534517 0.82 CES2 (0.42) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL8577021 0.82 POLB (0.41) RAB9AALDH1A1SMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-06-23 US disclosed
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-06-23 US disclosed
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-06-23 US disclosed
WO-1998013341-A1 HYDROXYBENZOPHENONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-04-02 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 (1 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-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 RAB9A 3980/4885ALDH1A1 1132/4885SMN1; SMN2 4496/4885

“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.