SCHEMBL2602645

SCHEMBL2602645

Cc1cc(O)ccc1C1=CC[C@@]2(C)C(CC[C@@H]2O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.39
ESR2 Q92731 11/20 0.39
LMNA P02545 4/20 0.37
MAPK1 P28482 2/20 0.37
SHBG P04278 3/20 0.36
HSD17B10 Q99714 3/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC22A1 O15245 1/20 0.34
AKR1B10 O60218 1/20 0.34
SLC22A3 O75751 1/20 0.34
ABCB11 O95342 1/20 0.34
ESRRB O95718 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2602642 0.87 ESR1 (0.39) ESR1ESR2LMNAMAPK1SHBG
SCHEMBL2602633 0.86 ESR1 (0.38) ESR1ESR2LMNAMAPK1SHBG
SCHEMBL2602653 0.83 ESR1 (0.36) ESR1ESR2LMNAMAPK1SHBG
SCHEMBL2602632 0.80 ESR1 (0.46) ESR1ESR2LMNASHBGHSD17B10
SCHEMBL5854103 0.80 ESR1 (0.46) ESR1ESR2LMNASHBGHSD17B10
SCHEMBL2602639 0.77 CYP19A1 (0.37) ESR1ESR2LMNAMAPK1MEN1
SCHEMBL2602644 0.77 ESR2 (0.33) ESR1ESR2LMNAMAPK1CYP2C19
SCHEMBL2605880 0.76 CYP19A1 (0.40) ESR1ESR2LMNAMAPK1SHBG
SCHEMBL2602650 0.74 CYP19A1 (0.37) ESR1ESR2CYP19A1
SCHEMBL2602647 0.74 SHBG (0.42) ESR1ESR2LMNAMAPK1SHBG

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952073-B2 Estrogenic compounds, process for their production and pharmaceutical uses thereof UNIVERSITY OF OTTAWA (CA) 2015-02-10 US disclosed
US-8952073-B2 Estrogenic compounds, process for their production and pharmaceutical uses thereof UNIVERSITY OF OTTAWA (CA) 2015-02-10 US disclosed
US-20130274344-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF UNIVERSITY OF OTTAWA (CA) 2013-10-17 US disclosed
US-20130274344-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF UNIVERSITY OF OTTAWA (CA) 2013-10-17 US disclosed
US-8471073-B2 Estrogenic compounds, process for their production and pharmaceutical uses thereof UNIVERSITY OF OTTAWA (CA) 2013-06-25 US disclosed
US-8471073-B2 Estrogenic compounds, process for their production and pharmaceutical uses thereof UNIVERSITY OF OTTAWA (CA) 2013-06-25 US disclosed
US-20120190898-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF SHADNIA HOOMAN (CA) 2012-07-26 US disclosed
US-20120190898-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF SHADNIA HOOMAN (CA) 2012-07-26 US disclosed
US-8158684-B2 Estrogenic compounds, process for their production and pharmaceutical uses thereof UNIVERSITY OF OTTAWA (CA) 2012-04-17 US disclosed
US-8158684-B2 Estrogenic compounds, process for their production and pharmaceutical uses thereof UNIVERSITY OF OTTAWA (CA) 2012-04-17 US disclosed
US-20110196045-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF UNIVERSITY OF OTTAWA (CA) 2011-08-11 US disclosed
US-20110196045-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF UNIVERSITY OF OTTAWA (CA) 2011-08-11 US disclosed
US-20090234024-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF SHADNIA HOOMAN 2009-09-17 US disclosed
US-20090234024-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF SHADNIA HOOMAN 2009-09-17 US 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 (4 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-20110196045-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF CYP19A1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885LMNA 2822/4885
US-20120190898-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF CYP19A1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885LMNA 2822/4885
US-20130274344-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF CYP19A1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885LMNA 3762/4885
US-20090234024-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF CYP19A1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885LMNA 2822/4885

“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.