SCHEMBL17845140

SCHEMBL17845140

Oc1ccc(-c2c(-c3ccccc3Cl)nsc2-c2ccc(OC3CCCCO3)cc2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.32
HSP90AA1 P07900 5/20 0.32
HSP90AB1 P08238 3/20 0.32
ACP1 P24666 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL17845163 0.84 TNK2 (0.33) TNK2CNR1CNR2
SCHEMBL17845093 0.80 TNK2 (0.36) TNK2ACP1
SCHEMBL17845114 0.80 CNR1 (0.35) NR1H4CNR1CNR2
SCHEMBL17754323 0.75 HSD17B1 (0.40) TNK2ACP1
SCHEMBL17845094 0.72 PTGS1 (0.38) TNK2HSP90AA1
SCHEMBL15100428 0.71 HSD11B1 (0.40) TNK2
SCHEMBL7156430 0.71 HSD11B1 (0.40) TNK2
SCHEMBL15100421 0.71 HSD11B1 (0.40) TNK2
SCHEMBL19125371 0.70 S1PR3 (0.35) TNK2
SCHEMBL15102145 0.70 HSD11B1 (0.40) TNK2

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 TNK2 2532/4885HSP90AA1 2956/4885HSP90AB1 2724/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 TNK2 2532/4885HSP90AA1 2956/4885HSP90AB1 2724/4885

“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.