SCHEMBL17845114

SCHEMBL17845114

O=C(c1ccc(F)c(F)c1)c1c(-c2ccccc2Cl)nsc1-c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
S1PR3 Q99500 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
RORC P51449 2/20 0.34
DGAT2 Q96PD7 2/20 0.34
OXTR P30559 1/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 4/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
SSTR3 P32745 1/20 0.32

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
SCHEMBL19125371 0.91 S1PR3 (0.35) S1PR3OXTRKMT2ARAB9ALMNA
SCHEMBL17845105 0.85 NR1H4 (0.40) CNR1CNR2S1PR3NR1H4RORC
SCHEMBL17845111 0.84 ESR1 (0.37) RORC
SCHEMBL17845139 0.81 CNR1 (0.43) CNR1CNR2KMT2ARAB9ALMNA
SCHEMBL17845163 0.80 TNK2 (0.33) CNR1CNR2
SCHEMBL19124828 0.80 HTR5A (0.37) CNR1CNR2RORCKMT2ARAB9A
SCHEMBL17845140 0.80 TNK2 (0.32) CNR1CNR2NR1H4
SCHEMBL17845152 0.79 DEGS1 (0.36) CNR1CNR2RAB9AALDH1A1MAPT
SCHEMBL17845093 0.78 TNK2 (0.36) OXTRKMT2ALMNATSHRALDH1A1
SCHEMBL19125236 0.75 ESR1 (0.35) S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406424-B Estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2020-08-25 CN disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
EP-3233828-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2017-10-25 EP disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 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-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 CNR1 692/4885CNR2 816/4885S1PR3 3148/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 CNR1 692/4885CNR2 816/4885S1PR3 3148/4885

“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.