SCHEMBL6476583

SCHEMBL6476583

CC(=O)C(=O)Oc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
ERN1 O75460 1/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A4 P14672 1/20 0.39
POLB P06746 1/20 0.38
BCHE P06276 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALB P02768 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOTUM Q6P988 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
SCHEMBL3987193 0.87 CES2 (0.48) KMT2ACES2CES1ERN1SLC2A1
SCHEMBL1994318 0.83 KMT2A (0.49) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL18697360 0.78 CES2 (0.48) KMT2ACES2CES1ERN1SLC2A1
SCHEMBL18668623 0.78 CES2 (0.48) KMT2ACES2CES1ERN1SLC2A1
SCHEMBL5691679 0.78 KMT2A (0.47) KMT2ANPC1NPSR1
SCHEMBL7690998 0.77 ALDH1A1 (0.52) KMT2A
SCHEMBL515879 0.76 KMT2A (0.41) KMT2ACES2CES1ERN1SLC2A1
SCHEMBL8805212 0.75 CA1 (0.32)
SCHEMBL28200073 0.75 KMT2A (0.43) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL15647419 0.74 ALDH1A1 (0.45) KMT2ACES2CES1SLC2A1SLC2A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951858-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
EP-1414808-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-05-06 EP disclosed
US-6673796-B2 SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-19 US disclosed
WO-2003011841-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2003-02-13 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-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR KMT2A 2539/4885CES2 1475/4885CES1 1059/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR KMT2A 1604/4885CES2 1350/4885CES1 1048/4885

“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.