SCHEMBL6515971

SCHEMBL6515971

O=C(O)COc1cc(Br)c(Oc2ccc3[nH]cc(CC4CC4)c3c2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
SLC6A4 P31645 1/20 0.43
HTR1A P08908 7/20 0.43
HTR1B P28222 6/20 0.43
HTR1D P28221 5/20 0.43
MTNR1A P48039 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MTNR1B P49286 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL6515521 0.96 KDM4E (0.44) KDM4ESLC6A4HTR1AHTR1BHTR1D
SCHEMBL6512563 0.96 KDM4E (0.44) KDM4ESLC6A4HTR1AHTR1BHTR1D
SCHEMBL6515965 0.95 KDM4E (0.43) KDM4ESLC6A4HTR1AHTR1BHTR1D
SCHEMBL6512538 0.93 KDM4E (0.42) KDM4ESLC6A4HTR1AHTR1BHTR1D
SCHEMBL6516837 0.93 KDM4E (0.44) KDM4ESLC6A4HTR1AHTR1BHTR1D
SCHEMBL6516094 0.91 THRA (0.47) KDM4ESLC6A4HTR1AHTR1BHTR1D
SCHEMBL6519190 0.90 KDM4E (0.41) KDM4ESLC6A4HTR1AHTR1BHTR1D
SCHEMBL6511519 0.90 KDM4E (0.43) KDM4ESLC6A4HTR1AHTR1BHTR1D
SCHEMBL6516591 0.90 KDM4E (0.43) KDM4ESLC6A4HTR1AHTR1BHTR1D
SCHEMBL6523744 0.90 KDM4E (0.41) KDM4ESLC6A4HTR1AHTR1BHTR1D

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 1199/4885SLC6A4 30/4885HTR1A 17/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP KDM4E 2994/4885SLC6A4 928/4885HTR1A 970/4885

“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.