SCHEMBL6516591

SCHEMBL6516591

Cc1cc(OCC(=O)O)cc(Br)c1Oc1ccc2[nH]cc(CC3CCCC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
THRA P10827 4/20 0.42
THRB P10828 4/20 0.42
HTR6 P50406 1/20 0.40
HTR1A P08908 5/20 0.40
HTR1B P28222 5/20 0.40
MTNR1B P49286 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MTNR1A P48039 1/20 0.39
HTR1D P28221 3/20 0.39
SLC6A4 P31645 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
ALOX5 P09917 1/20 0.38
BCHE P06276 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
SCHEMBL6512638 0.99 THRA (0.43) KDM4ETHRATHRBHTR6HTR1A
SCHEMBL6511519 0.98 KDM4E (0.43) KDM4ETHRATHRBHTR6HTR1A
SCHEMBL6516837 0.96 KDM4E (0.44) KDM4ETHRATHRBHTR6HTR1A
SCHEMBL6512563 0.94 KDM4E (0.44) KDM4ETHRATHRBHTR6HTR1A
SCHEMBL6512536 0.94 THRA (0.47) KDM4ETHRATHRBHTR6HTR1A
SCHEMBL6514147 0.93 THRA (0.46) KDM4ETHRATHRBHTR6HTR1A
SCHEMBL6515965 0.93 KDM4E (0.43) KDM4ETHRATHRBHTR6HTR1A
SCHEMBL6515521 0.92 KDM4E (0.44) KDM4ETHRATHRBHTR1AHTR1B
SCHEMBL6512136 0.92 THRA (0.47) KDM4ETHRATHRBHTR6HTR1A
SCHEMBL6516153 0.90 THRA (0.48) KDM4ETHRATHRBHTR6HTR1A

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 3 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
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 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 (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 1199/4885THRA 2460/4885THRB 1772/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP KDM4E 2994/4885THRA 1917/4885THRB 1835/4885

“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.