SCHEMBL5042710

SCHEMBL5042710

CC(=O)Oc1c(C)cc(O)cc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL6768274 0.89 PREP (0.42) HTTKDM4EHSD17B10GAATP53
SCHEMBL3600800 0.83 HSD17B10 (0.55) HTTKDM4EHSD17B10GAATP53
SCHEMBL6768867 0.80 CYP3A4 (0.38) PREPCELA1BACE1CYP3A4
SCHEMBL9008299 0.80 GABRA1 (0.39) ADRA1ATHRATHRBCYP3A4
SCHEMBL6764077 0.76 HTT (0.45) HTTKDM4EHSD17B10GAATP53
SCHEMBL17935193 0.76 CA1 (0.46) HTTCYP1A2ADRA2ACYP2D6PKM
SCHEMBL9029438 0.74 BACE1 (0.47) HTTKDM4ETP53MAPTPKM
SCHEMBL8176820 0.74 FABP3 (0.52) HTT
SCHEMBL17935202 0.74 CA1 (0.61) GAAPREPCELA1ALDH1A1THRA
SCHEMBL7921839 0.74 KDM4E (0.57) HTTKDM4EHSD17B10GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
EP-1601641-A4 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2007-03-21 EP disclosed
EP-1587783-A4 CYCLOALKYL CONTAINING ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2006-11-08 EP disclosed
EP-1601641-A2 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR Bristol-Myers Squibb Company (US) 2005-12-07 EP disclosed
EP-1587783-A2 CYCLOALKYL CONTAINING ANILIDE LIGANDS FOR THE THYROID RECEPTOR Bristol-Myers Squibb Company (US) 2005-10-26 EP disclosed
US-20040180940-A1 Substituted anilide ligands for the thyroid receptor KARO BIO AB (SE) 2004-09-16 US disclosed
US-20040176425-A1 Cycloalkyl containing anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US disclosed
WO-2004066929-A2 CYCLOALKYL CONTAINING ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-12 WO disclosed
WO-2004067482-A2 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-12 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-20040180940-A1 Substituted anilide ligands for the thyroid receptor TSHR, TRHR, THRA HTT 3431/4885KDM4E 3009/4885HSD17B10 1740/4885
US-20040176425-A1 Cycloalkyl containing anilide ligands for the thyroid receptor TSHR, THRB, TRHR HTT 3657/4885KDM4E 3573/4885HSD17B10 1056/4885

“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.