SCHEMBL6513749

SCHEMBL6513749

Cc1cc(CC(=O)O)cc(C)c1Oc1ccc2[nH]cc(Cc3ccc(F)cc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.56
THRB P10828 8/20 0.56
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
HTR2A P28223 1/20 0.43
MAPT P10636 1/20 0.42
GPR84 Q9NQS5 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 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
SCHEMBL6516484 0.93 THRB (0.53) THRATHRBTSHRKDM4EPPARG
SCHEMBL6511210 0.93 THRA (0.53) THRATHRBTSHRKDM4EPPARG
SCHEMBL6516405 0.92 THRA (0.64) THRATHRBTSHRKDM4EPPARG
SCHEMBL6517117 0.91 KDM4E (0.53) THRATHRBTSHRKDM4EPPARG
SCHEMBL6515485 0.90 KDM4E (0.50) THRATHRBKDM4EPPARGPPARD
SCHEMBL6515799 0.88 THRB (0.52) THRATHRBTSHRKDM4E
SCHEMBL6512401 0.88 THRB (0.54) THRATHRBTSHRKDM4EHTR2A
SCHEMBL6524704 0.86 THRA (0.59) THRATHRBTSHRKDM4EHTR2A
SCHEMBL6520609 0.86 THRA (0.55) THRATHRBTSHRKDM4EHTR2A
SCHEMBL6517048 0.86 THRA (0.66) THRATHRBTSHRKDM4EPPARG

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 1772/4885TSHR 2555/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRA 1917/4885THRB 1835/4885TSHR 3421/4885

“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.