SCHEMBL6513033

SCHEMBL6513033

CCCCc1c[nH]c2ccc(Oc3c(C)cc(CC(=O)O)cc3Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
THRA P10827 8/20 0.46
THRB P10828 8/20 0.46
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HTR1A P08908 7/20 0.43
HTR1B P28222 7/20 0.43
HTR1D P28221 6/20 0.42
MTNR1A P48039 1/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2A P28223 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6515969 0.97 KDM4E (0.47) KDM4ETHRATHRBPPARGPPARD
SCHEMBL6521718 0.96 KDM4E (0.46) KDM4ETHRATHRBPPARGPPARD
SCHEMBL6515934 0.94 KDM4E (0.49) KDM4ETHRATHRBPPARGPPARD
SCHEMBL6515229 0.94 KDM4E (0.51) KDM4ETHRATHRBHTR1AHTR1B
SCHEMBL6513928 0.93 KDM4E (0.52) KDM4ETHRATHRBPPARGPPARD
SCHEMBL6511588 0.91 KDM4E (0.50) KDM4ETHRATHRBHTR1AHTR1B
SCHEMBL6512219 0.90 KDM4E (0.49) KDM4ETHRATHRBHTR1AHTR1B
SCHEMBL6514440 0.90 KDM4E (0.51) KDM4ETHRATHRBPPARGPPARD
SCHEMBL6511075 0.90 THRB (0.49) KDM4ETHRATHRBHTR1AHTR1B
SCHEMBL6512068 0.89 KDM4E (0.50) KDM4ETHRATHRBPPARGPPARD

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 1199/4885THRA 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.