SCHEMBL15067474

SCHEMBL15067474

O=C(c1ccc(I)cc1)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ELANE P08246 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PARP10 Q53GL7 1/20 0.37
HSD11B1 P28845 1/20 0.37
EPHX2 P34913 3/20 0.36
TNK2 Q07912 2/20 0.35
PTPN1 P18031 1/20 0.35
LSS P48449 1/20 0.35
PDE4B Q07343 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
SCHEMBL1186911 0.93 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAELANE
SCHEMBL674989 0.88 TNK2 (0.40) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL11767308 0.87 ELANE (0.52) MEN1KMT2ASMN1; SMN2LMNAELANE
SCHEMBL5725421 0.86 LSS (0.49) MEN1KMT2ASMN1; SMN2LMNAELANE
SCHEMBL21780925 0.86 MEN1 (0.47) MEN1KMT2ASMN1; SMN2LMNAELANE
SCHEMBL5427612 0.83 MEN1 (0.44) MEN1KMT2ASMN1; SMN2LMNAELANE
SCHEMBL225085 0.82 KMT2A (0.65) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL2281345 0.81 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL26452181 0.81 PARP10 (0.58) MEN1KMT2ASMN1; SMN2LMNAPARP10
SCHEMBL402289 0.80 MEN1 (0.44) MEN1KMT2ASMN1; SMN2LMNAELANE

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 18 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
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
EP-2797889-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Centaurus Biopharma Co., Ltd. (CN) 2014-11-05 EP disclosed
WO-2013097773-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-07-04 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 MEN1 2510/4885KMT2A 2655/4885SMN1; SMN2 4324/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 MEN1 2510/4885KMT2A 2655/4885SMN1; SMN2 4324/4885

“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.