SCHEMBL2417367

SCHEMBL2417367

CCCC1c2cc(O)ccc2C2=C(C)C(=O)CCC21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
ESR2 Q92731 12/20 0.39
ESR1 P03372 11/20 0.39
MEN1 O00255 2/20 0.35
GLA P06280 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
NR1I2 O75469 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 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
SCHEMBL6141064 0.81 ESR2 (0.37) ESR2ESR1MEN1GLAKMT2A
SCHEMBL6141059 0.62 MEN1 (0.51) SHBGESR2ESR1MEN1GLA
SCHEMBL27944894 0.61 DYRK1A (0.46) SHBGESR2ESR1MEN1KMT2A
SCHEMBL3649497 0.61 SHBG (0.71) SHBGESR2ESR1CYP2D6TSHR
SCHEMBL13875399 0.61 SHBG (0.71) SHBGESR2ESR1CYP2D6TSHR
SCHEMBL15355998 0.60 PDE9A (0.36) NPC1RAB9A
SCHEMBL3655423 0.59 SHBG (0.57) SHBGESR2ESR1NFKB1
SCHEMBL14489029 0.59 SHBG (0.51) SHBGMEN1KMT2ACYP2D6TSHR
SCHEMBL6063227 0.57 KMT2A (0.31) ESR2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11631602 0.57 CYP19A1 (0.44) ESR2ESR1MEN1GLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257264-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-09-14 EP claimed
US-20080161372-A1 Methods for the Treatment of Hypertension MERCK & CO., INC. 2008-07-03 US claimed
EP-1734960-A1 METHODS FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (US) 2006-12-27 EP claimed
US-7087599-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-08-08 US claimed
WO-2005099704-A1 METHODS FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2005-10-27 WO claimed
EP-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP claimed
US-20050137192-A1 Estrogen receptor modulators PARKER DANN R JR (US) 2005-06-23 US claimed
US-20030027840-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2003-02-06 US claimed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP claimed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 WO claimed
EP-1257264-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
US-20080161372-A1 Methods for the Treatment of Hypertension MERCK & CO., INC. 2008-07-03 US disclosed
EP-1734960-A1 METHODS FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (US) 2006-12-27 EP disclosed
US-7087599-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-08-08 US disclosed
WO-2005099704-A1 METHODS FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2005-10-27 WO disclosed
EP-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP disclosed
US-20050137192-A1 Estrogen receptor modulators PARKER DANN R JR (US) 2005-06-23 US disclosed
US-20030027840-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2003-02-06 US disclosed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 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 (3 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-20030027840-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA SHBG 18/4885ESR2 2/4885ESR1 5/4885
US-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA SHBG 18/4885ESR2 2/4885ESR1 5/4885
US-20080161372-A1 Methods for the Treatment of Hypertension EDNRA, GPER1, EDNRB SHBG 67/4885ESR2 8/4885ESR1 13/4885

“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.