SCHEMBL6090490

SCHEMBL6090490

CCC(O)(CC)c1ccc(C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP51A1 Q16850 1/20 0.36
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.33
NFE2L2 Q16236 1/20 0.32
PDE2A O00408 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL18287272 0.82 CYP3A4 (0.50) ALDH1A1POLBMAPTCYP11B1CYP11B2
SCHEMBL12525117 0.80 TP53 (0.41) SMN1; SMN2ALDH1A1POLBMAPTLMNA
SCHEMBL1348538 0.79 KCNH2 (0.49) CYP11B1CYP11B2CYP2C9CYP2C19LMNA
SCHEMBL10193081 0.78 KIF11 (0.43) KIF11SMN1; SMN2MAPTCYP11B1CYP11B2
SCHEMBL20089653 0.78 KIF11 (0.43) KIF11SMN1; SMN2CYP11B1CYP11B2CYP1A2
SCHEMBL11962356 0.78 KIF11 (0.41) KIF11SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL25566269 0.77 ALDH1A1 (0.45) KIF11SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL14958061 0.77 MAPT (0.38) SMN1; SMN2ALDH1A1POLBMAPTCYP2C19
SCHEMBL18287276 0.74 CYP3A4 (0.47) POLBMAPTCYP11B1CYP11B2CYP2C9
SCHEMBL15801226 0.73 KIF11 (0.42) KIF11SMN1; SMN2CYP11B1CYP11B2NFE2L2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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 (1 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R KIF11 2748/4885SMN1; SMN2 4558/4885ALDH1A1 1544/4885

“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.