SCHEMBL17845119

SCHEMBL17845119

O=C(c1ccc(OCCN2CC(CF)C2)c(F)c1)c1c(-c2ccccc2Cl)noc1-c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.38
NR1H4 Q96RI1 2/20 0.35
PPARD Q03181 3/20 0.34
OXTR P30559 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PLA2G2A P14555 1/20 0.32
VDR P11473 1/20 0.32
RORC P51449 1/20 0.32
HTR7 P34969 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
SCHEMBL17845111 0.89 ESR1 (0.37) ESR1PLA2G2ARORCHTR7
SCHEMBL21780921 0.88 PPARD (0.41) ESR1NR1H4PPARDALDH1A1HTR7
SCHEMBL17845155 0.87 ESR1 (0.42) ESR1NR1H4PPARD
SCHEMBL17845105 0.84 NR1H4 (0.40) NR1H4OXTRALDH1A1TSHRRORC
SCHEMBL17858175 0.83 ESR1 (0.38) ESR1NR1H4PPARDALDH1A1HTR7
SCHEMBL17845085 0.82 ESR1 (0.38) ESR1
SCHEMBL18162064 0.81 ESR1 (0.37) ESR1NR1H4PPARDALDH1A1
SCHEMBL19125236 0.81 ESR1 (0.35) ESR1PLA2G2A
SCHEMBL17845166 0.80 ESR1 (0.32) ESR1
SCHEMBL17845104 0.74 ESR1 (0.42) ESR1

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 ESR1 2/4885NR1H4 37/4885PPARD 103/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885NR1H4 37/4885PPARD 103/4885

“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.