SCHEMBL17845116

SCHEMBL17845116

FCC1CCN(CCOc2ccc(I)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.49
LTA4H P09960 5/20 0.47
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL17845086 1.00 ESR1 (0.49) ESR1LTA4HSIGMAR1TMEM97KDM4E
SCHEMBL20683542 0.88 ESR1 (0.47) ESR1
SCHEMBL21780941 0.86 HRH3 (0.56) ESR1LTA4HSIGMAR1TMEM97KDM4E
SCHEMBL17845197 0.86 ESR1 (0.59) ESR1LTA4H
SCHEMBL17845198 0.86 ESR1 (0.59) ESR1LTA4H
SCHEMBL21780869 0.86 TMEM97 (0.63) ESR1LTA4HSIGMAR1TMEM97
SCHEMBL23474993 0.83 MEN1 (0.52) ESR1LTA4HSIGMAR1TMEM97KDM4E
SCHEMBL23474881 0.83 KDM4E (0.60) ESR1LTA4HKDM4E
SCHEMBL23474962 0.83 KDM4E (0.60) ESR1LTA4HKDM4E
SCHEMBL23474994 0.83 KDM4E (0.60) ESR1LTA4HKDM4E

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 7 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
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-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

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 2/4885LTA4H 1908/4885SIGMAR1 492/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885LTA4H 1908/4885SIGMAR1 492/4885

“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.