SCHEMBL6516487

SCHEMBL6516487

O=C(O)COc1cc(Cl)c(Oc2ccc3[nH]cc(CC4CCC4)c3c2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 9/20 0.41
HTR1B P28222 8/20 0.41
HTR1D P28221 7/20 0.41
THRB P10828 3/20 0.40
THRA P10827 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL6512856 0.98 THRB (0.42) KDM4EHTR1AHTR1BHTR1DTHRB
SCHEMBL6512156 0.97 THRB (0.43) KDM4EHTR1AHTR1BHTR1DTHRB
SCHEMBL6523799 0.96 KDM4E (0.43) KDM4EHTR1AHTR1BHTR1DTHRB
SCHEMBL6519190 0.94 KDM4E (0.41) KDM4EHTR1AHTR1BHTR1DTHRB
SCHEMBL6520023 0.94 THRA (0.42) KDM4EHTR1AHTR1BHTR1DTHRB
SCHEMBL6523744 0.92 KDM4E (0.41) KDM4EHTR1AHTR1BHTR1DTHRB
SCHEMBL6512550 0.92 THRA (0.42) KDM4EHTR1AHTR1BHTR1DTHRB
SCHEMBL6514142 0.91 THRA (0.46) KDM4EHTR1AHTR1BHTR1DTHRB
SCHEMBL6518410 0.91 THRB (0.43) KDM4EHTR1AHTR1BHTR1DTHRB
SCHEMBL6520612 0.91 KDM4E (0.40) KDM4EHTR1AHTR1BHTR1DTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 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 (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-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 KDM4E 1199/4885HTR1A 17/4885HTR1B 25/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP KDM4E 2994/4885HTR1A 970/4885HTR1B 1246/4885

“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.