SCHEMBL4233115

SCHEMBL4233115

CC1(C)CCc2cc(Cl)c(O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.40
KDM1A O60341 1/20 0.39
ESR2 Q92731 2/20 0.37
ESR1 P03372 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
CYP19A1 P11511 2/20 0.35
HSD17B1 P14061 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 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
SCHEMBL1496263 0.93 FTO (0.43) FTOKDM1AESR2ESR1HPGD
SCHEMBL22477463 0.84 ALDH1A1 (0.46) ESR2ESR1HPGDHSD17B10ALDH1A1
SCHEMBL8678472 0.84 ALDH1A1 (0.46) ESR2ESR1HPGDHSD17B10ALDH1A1
Ammonia Solution, Strong SCHEMBL28596997 0.81 RXRA (0.40) FTOESR1HPGDHSD17B10TSHR
SCHEMBL4226427 0.79 RXRA (0.40) ESR2ESR1HPGDHSD17B10CYP19A1
SCHEMBL4233044 0.78 SIGMAR1 (0.37) ESR2ESR1HPGDHSD17B10TSHR
SCHEMBL22589962 0.77 ESR1 (0.35) KDM1AESR2ESR1ALDH1A1CYP3A4
SCHEMBL10323390 0.76 RXRA (0.40) ESR2ESR1HPGDHSD17B10CYP19A1
SCHEMBL20377994 0.75 KARS1 (0.49) ESR2ESR1HPGDHSD17B10ALDH1A1
SCHEMBL29588597 0.75 KARS1 (0.49) ESR2ESR1HPGDHSD17B10ALDH1A1

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 4 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
US-4107324-A ARTHROPODICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-08-15 US 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 FTO 2357/4885KDM1A 2465/4885ESR2 70/4885

“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.