SCHEMBL3275977

SCHEMBL3275977

O=Cc1ccc(C(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.52
CYP2A6 P11509 4/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
KIF11 P52732 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 5/20 0.39
DRD1 P21728 3/20 0.38
ALDH1A3 P47895 2/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2A13 Q16696 1/20 0.37
ALDH3A1 P30838 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL4914733 0.80 TYR (0.50) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL7647445 0.80 ESR1 (0.46) ESR1ESR2
SCHEMBL2424334 0.78 TYR (0.48) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL30990031 0.78 TYR (0.48) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL3138366 0.77 ALDH1A1 (0.50) ALDH1A1ESR1ESR2
SCHEMBL24408867 0.74 KIF11 (0.45) TYRCYP2A6ALDH5A1ABATKIF11
SCHEMBL5794661 0.74 TYR (0.44) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL12199531 0.74 TYR (0.48) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL472391 0.73 TYR (0.58) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL10734465 0.72 TYR (0.47) TYRCYP2A6HSD17B10ALDH5A1ABAT

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-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 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 (1 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-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR TYR 2753/4885CYP2A6 3671/4885HSD17B10 1361/4885

“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.