SCHEMBL6514044

SCHEMBL6514044

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MTNR1A P48039 2/20 0.45
HTR1A P08908 6/20 0.45
HTR1B P28222 6/20 0.45
HTR1D P28221 6/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL6524618 0.94 THRA (0.46) KDM4EMTNR1AHTR1AHTR1BHTR1D
SCHEMBL6512419 0.94 HTR1A (0.47) KDM4EMTNR1AHTR1AHTR1BHTR1D
SCHEMBL6512073 0.93 KDM4E (0.45) KDM4EMTNR1AHTR1AHTR1BHTR1D
SCHEMBL6517197 0.93 HTR1A (0.48) KDM4EMTNR1AHTR1AHTR1BHTR1D
SCHEMBL6512696 0.92 HTR1B (0.49) KDM4EMTNR1AHTR1AHTR1BHTR1D
SCHEMBL6515249 0.91 THRA (0.50) KDM4EMTNR1AHTR1AHTR1BHTR1D
SCHEMBL6519469 0.88 THRA (0.50) KDM4EMTNR1AHTR1AHTR1BHTR1D
SCHEMBL6510927 0.88 KDM4E (0.53) KDM4EMTNR1A
SCHEMBL6517244 0.88 THRA (0.45) KDM4EMTNR1AHTR1AHTR1BHTR1D
SCHEMBL6515261 0.88 HTR1A (0.45) KDM4EHTR1AHTR1BHTR1DKMT2A

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 1199/4885MTNR1A 26/4885HTR1A 17/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP KDM4E 2994/4885MTNR1A 348/4885HTR1A 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.