SCHEMBL6512813

SCHEMBL6512813

Cc1cc(OCC(=O)O)cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
PPARD Q03181 4/20 0.43
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
IDH1 O75874 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AKR1B1 P15121 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
SCHEMBL6515573 0.90 THRB (0.52) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6514087 0.90 THRA (0.50) MAPTPPARDTHRATHRBSMN1; SMN2
SCHEMBL6514194 0.90 SMN1; SMN2 (0.53) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6513228 0.90 MAPT (0.59) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6513863 0.90 MAPT (0.45) MAPTPPARDTHRATHRBSMN1; SMN2
SCHEMBL6859231 0.90 THRB (0.43) MAPTPPARDTHRATHRBSMN1; SMN2
SCHEMBL6511488 0.89 MAPT (0.58) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6520252 0.89 MAPT (0.49) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6514280 0.88 SMN1; SMN2 (0.53) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6514151 0.88 MAPT (0.47) MAPTTHRATHRBSMN1; SMN2KDM4E

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 MAPT 839/4885PPARD 678/4885THRA 2460/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP MAPT 3453/4885PPARD 177/4885THRA 1917/4885

“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.