SCHEMBL128201

SCHEMBL128201

C1CCOCC1.OB(O)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.62
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
TSHR P16473 1/20 0.38
TTR P02766 1/20 0.37
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MGLL Q99685 2/20 0.35
KDM4E B2RXH2 1/20 0.34
F11 P03951 1/20 0.33

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
Hydroquinone SCHEMBL1258650 0.84 ALDH1A1 (0.47) CA2CA1CA4CA6CA5A
SCHEMBL8912 0.79 ENPP2 (1.00) ENPP2CA2CA1LPLLIPG
Phenylboronic Acid SCHEMBL30296306 0.78 ENPP2 (0.64) ENPP2CA2CA1LPLLIPG
Ammonia Solution, Strong SCHEMBL28882560 0.77 ENPP2 (0.94) ENPP2CA2CA1LPLLIPG
SCHEMBL28105638 0.77 ENPP2 (0.94) ENPP2CA2CA1LPLLIPG
Phenol SCHEMBL28348335 0.73 CA12 (0.55) CA2CA1TSHRCA4CA14
SCHEMBL18459963 0.72 ENPP2 (0.83) ENPP2CA2CA1LPLLIPG
SCHEMBL22361777 0.72 ENPP2 (0.83) ENPP2CA2CA1LPLLIPG
SCHEMBL5765450 0.72 ENPP2 (0.47) ENPP2CA2CA1TTRMGLL
Parachlorophenol SCHEMBL27866519 0.71 MAPK1 (0.46) CA2CA1TSHRCA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-20050234082-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-20 US disclosed
US-6872728-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-03-29 US disclosed
US-20040048884-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2004-03-11 US disclosed
US-6608197-B2 Aminoalkyl-substituted pyrimidones NEUROCRINE BIOSCIENCES, INC. 2003-08-19 US disclosed
EP-1255738-A2 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2002-11-13 EP disclosed
US-20020132820-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2002-09-19 US disclosed
WO-2001055119-A2 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2001-08-02 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 (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-20050234082-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ENPP2 360/4885CA2 1253/4885CA1 1123/4885
US-20020132820-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ENPP2 340/4885CA2 1149/4885CA1 1097/4885
US-20040048884-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ENPP2 340/4885CA2 1149/4885CA1 1097/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ENPP2 360/4885CA2 1253/4885CA1 1123/4885

“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.