SCHEMBL17637149

SCHEMBL17637149

COc1ccc(OC)c(C(=O)Cc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.63
USP2 O75604 1/20 0.60
TP53 P04637 1/20 0.60
HTT P42858 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 2/20 0.56
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CAPN1 P07384 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL16324583 0.91 HTT (0.67) HSD11B1USP2TP53HTTSMN1; SMN2
SCHEMBL31390332 0.90 HTT (0.62) HSD11B1USP2TP53HTTSMN1; SMN2
SCHEMBL14856225 0.90 HTT (0.62) HSD11B1USP2TP53HTTSMN1; SMN2
SCHEMBL16323195 0.85 NPC1 (0.80) HSD11B1USP2TP53HTTSMN1; SMN2
SCHEMBL14856214 0.85 POLB (0.63) HSD11B1USP2TP53HTTSMN1; SMN2
SCHEMBL17637165 0.85 USP2 (0.58) HSD11B1USP2TP53HTTSMN1; SMN2
SCHEMBL150915 0.85 NPC1 (0.68) USP2TP53HTTSMN1; SMN2LMNA
SCHEMBL28589540 0.85 USP2 (0.73) USP2TP53HTTSMN1; SMN2LMNA
SCHEMBL29586454 0.85 NPC1 (0.68) USP2TP53HTTSMN1; SMN2LMNA
SCHEMBL4838604 0.85 USP2 (0.73) USP2TP53HTTSMN1; SMN2LMNA

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-9655880-B2 Azetidine estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-05-23 US disclosed
US-9655880-B2 Azetidine estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-05-23 US disclosed
US-20160367526-A1 AZETIDINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-22 US disclosed
US-9475798-B2 Azetidine estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2016-10-25 US disclosed
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-06-23 US disclosed
US-20160090377-A1 AZETIDINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-03-31 US 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 (3 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-20160090377-A1 AZETIDINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR1, ESR2, GPER1 HSD11B1 775/4885USP2 896/4885TP53 1326/4885
US-20160367526-A1 AZETIDINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR1, ESR2, GPER1 HSD11B1 775/4885USP2 896/4885TP53 1326/4885
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 HSD11B1 81/4885USP2 1915/4885TP53 1522/4885

“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.