SCHEMBL17845105

SCHEMBL17845105

O=C(c1ccc(F)c(F)c1)c1c(-c2ccccc2Cl)noc1-c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
OXTR P30559 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
S1PR3 Q99500 1/20 0.36
GPBAR1 Q8TDU6 3/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL17845114 0.85 CNR1 (0.35) NR1H4TP53MAPTKMT2ARAB9A
SCHEMBL17845119 0.84 ESR1 (0.38) NR1H4TSHRALDH1A1OXTRRORC
SCHEMBL17845207 0.82 GPBAR1 (0.49) TP53MAPTKMT2ARAB9ATSHR
SCHEMBL17845135 0.80 RAB9A (0.44) TP53MAPTRAB9AALDH1A1LMNA
SCHEMBL17845087 0.78 TNK2 (0.39) MAPTKMT2ATSHRALDH1A1LMNA
SCHEMBL17845094 0.76 PTGS1 (0.38) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL19125371 0.76 S1PR3 (0.35) KMT2ARAB9ALMNAOXTRNPSR1
SCHEMBL402289 0.74 MEN1 (0.44) KMT2ARAB9ALMNASMN1; SMN2POLB
SCHEMBL17845111 0.71 ESR1 (0.37) RORC
SCHEMBL17845163 0.70 TNK2 (0.33) CNR1CNR2

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 NR1H4 37/4885TP53 1477/4885MAPT 256/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 NR1H4 37/4885TP53 1477/4885MAPT 256/4885

“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.