SCHEMBL6512757

SCHEMBL6512757

CCCCc1c[nH]c2ccc(Oc3c(Cl)cc(OCC(=O)O)cc3C(F)(F)F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.49
THRB P10828 6/20 0.49
HTR1A P08908 11/20 0.41
HTR1B P28222 11/20 0.41
HTR1D P28221 10/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2A P28223 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTNR1A P48039 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6513015 0.97 THRA (0.48) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6518561 0.97 THRA (0.47) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6515249 0.95 THRA (0.50) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6513411 0.94 THRA (0.55) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6515664 0.91 THRA (0.54) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6512419 0.91 HTR1A (0.47) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6516679 0.90 THRA (0.49) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6516472 0.90 THRA (0.53) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6513923 0.90 THRA (0.49) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6515810 0.89 THRB (0.61) THRATHRBHTR1AHTR1BHTR1D

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 THRA 2460/4885THRB 1772/4885HTR1A 17/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRA 1917/4885THRB 1835/4885HTR1A 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.