SCHEMBL6524618

SCHEMBL6524618

CCCc1c[nH]c2ccc(Oc3c(C)cc(OCC(=O)O)cc3Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.46
THRB P10828 4/20 0.46
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MTNR1A P48039 1/20 0.42
LTA4H P09960 2/20 0.42
PLA2G2A P14555 2/20 0.42
HTR1A P08908 5/20 0.42
HTR1B P28222 5/20 0.42
HTR1D P28221 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL6517244 0.94 THRA (0.45) THRATHRBMCL1KDM4EMTNR1A
SCHEMBL6514044 0.94 KDM4E (0.46) KDM4EMTNR1AHTR1AHTR1BHTR1D
SCHEMBL6515261 0.94 HTR1A (0.45) THRATHRBMCL1KDM4EHTR1A
SCHEMBL6519469 0.93 THRA (0.50) THRATHRBKDM4EMTNR1ALTA4H
SCHEMBL6516585 0.93 HTR1B (0.46) THRATHRBMCL1KDM4EHTR1A
SCHEMBL6512073 0.90 KDM4E (0.45) THRATHRBKDM4EMTNR1AHTR1A
SCHEMBL6513222 0.89 KDM4E (0.46) THRATHRBKDM4EMTNR1ALTA4H
SCHEMBL6512419 0.88 HTR1A (0.47) KDM4EMTNR1AHTR1AHTR1BHTR1D
SCHEMBL6516605 0.88 THRB (0.48) THRATHRBMCL1KDM4ELTA4H
SCHEMBL6515934 0.87 KDM4E (0.49) THRATHRBKDM4EMTNR1AHTR1A

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 THRA 2460/4885THRB 1772/4885MCL1 597/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRA 1917/4885THRB 1835/4885MCL1 3282/4885

“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.