SCHEMBL4240819

SCHEMBL4240819

Cc1ccc(C(C)(C)O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.50
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
ACHE P22303 1/20 0.43
TRPA1 O75762 1/20 0.43
PTGS1 P23219 1/20 0.43
CACNA1C Q13936 1/20 0.43
ESR2 Q92731 5/20 0.42
AR P10275 2/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL674323 0.84 ALDH1A1 (0.67) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL13204224 0.84 ESR1 (0.71) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL11701469 0.84 ESR1 (0.71) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL12051657 0.83 ESR1 (0.44) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL15171112 0.80 ESR1 (0.48) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL7749764 0.78 ESR1 (0.83) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL7785660 0.78 ESR1 (0.42) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL9271109 0.77 ESR1 (0.40) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30482435 0.77 ALDH1A1 (0.46) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL8985702 0.77 HSD17B2 (0.49) ESR1ALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR ESR1 168/4885ALDH1A1 4595/4885HPGD 884/4885

“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.