SCHEMBL6512432

SCHEMBL6512432

CC(C)Cc1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(OCC(=O)O)cc3C(F)(F)F)cc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.60
THRB P10828 8/20 0.60
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LTA4H P09960 1/20 0.41
PLA2G2A P14555 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
S1PR1 P21453 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
MTNR1A P48039 1/20 0.40
P2RY14 Q15391 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
SCHEMBL6515781 0.94 THRA (0.54) THRATHRBKDM4EMEN1KMT2A
SCHEMBL6862375 0.94 THRA (0.54) THRATHRBKDM4EMEN1KMT2A
SCHEMBL6516349 0.94 THRA (0.54) THRATHRBKDM4EMEN1KMT2A
SCHEMBL6510913 0.89 THRA (0.75) THRATHRBKDM4EMEN1KMT2A
SCHEMBL6512910 0.87 THRA (0.56) THRATHRBKDM4EHTR1ATRPV1
SCHEMBL6515924 0.86 THRA (0.80) THRATHRBTRPV1MTNR1A
SCHEMBL6514219 0.86 THRA (0.54) THRATHRBKDM4EMEN1KMT2A
SCHEMBL6513411 0.86 THRA (0.55) THRATHRBKDM4EMEN1KMT2A
SCHEMBL6520093 0.85 THRA (0.46) THRATHRBKDM4EMEN1KMT2A
SCHEMBL6515823 0.85 KDM4E (0.48) THRATHRBKDM4EMEN1KMT2A

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 THRA 2460/4885THRB 1772/4885KDM4E 1199/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRA 1917/4885THRB 1835/4885KDM4E 2994/4885

“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.