SCHEMBL6512778

SCHEMBL6512778

Cc1cc(OC(C(=O)O)C(C)(C)C)cc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2B6 P20813 1/20 0.33
PLG P00747 2/20 0.33
PLAU P00749 2/20 0.33
PLAT P00750 2/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32

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
SCHEMBL7037791 0.74 ATM (0.47) PPARGPPARACYP1A2CYP2C9PLG
SCHEMBL3921409 0.73 PLG (0.38) PPARGPPARAPLGPLAUPLAT
SCHEMBL16753741 0.71 PLG (0.41) CYP2C9CYP3A4PLGPLAUPLAT
SCHEMBL25418672 0.70 HCAR2 (0.36) PLGPLAUPLATEDNRBEDNRA
SCHEMBL16753082 0.70 LDHA (0.42) TDP1SMN1; SMN2PPARGPPARACYP1A2
SCHEMBL657468 0.70 ALDH1A1 (0.39) TDP1CYP1A2CYP2C9CYP3A4PLG
SCHEMBL3979786 0.70 LDHA (0.59) TDP1SMN1; SMN2PPARGPPARACYP1A2
SCHEMBL3981309 0.70 HSD17B10 (0.48) CYP1A2CYP2C9CYP3A4CYP2D6PLG
SCHEMBL7560341 0.70 CYP3A4 (0.46) CYP3A4PLGPLAUPLATEDNRB
SCHEMBL9367122 0.69 EDNRB (0.61) EDNRBEDNRANR1I2KCNE1KCNQ1

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 TDP1 2492/4885SMN1; SMN2 4749/4885PPARG 1930/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP TDP1 3378/4885SMN1; SMN2 4875/4885PPARG 209/4885

“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.