SCHEMBL6089418

SCHEMBL6089418

CCC(O)(CC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
KIF11 P52732 3/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
BLM P54132 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL5950461 0.87 ESR1 (0.46) NR1H2NR1H3ALDH1A1CYP1A2CYP2C19
SCHEMBL6092358 0.81 KCNN4 (0.45) LMNACYP3A4MAPK1CYP2C19MEN1
SCHEMBL19124264 0.79 NR1H2 (0.44) NR1H2NR1H3KIF11CES2CES1
SCHEMBL19148416 0.79 NR1H2 (0.44) NR1H2NR1H3KIF11CES2CES1
SCHEMBL6266034 0.78 CES2 (0.39) KIF11CES2CES1ALDH1A1LMNA
SCHEMBL9307408 0.78 ESR1 (0.62) ALDH1A1LMNANPSR1TP53CYP1A2
SCHEMBL1976050 0.78 TSHR (0.46) ALDH1A1LMNACYP3A4CYP2C19MEN1
SCHEMBL22825393 0.78 HRH3 (0.40) ALDH1A1CYP1A2ALOX15CYP2C19GSK3B
SCHEMBL30561569 0.77 AR (0.42) NR1H2NR1H3KIF11CES2CES1
SCHEMBL11143362 0.76 MAPT (0.47) KIF11ALDH1A1LMNACYP1A2CYP3A4

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 NR1H2 9/4885NR1H3 25/4885KIF11 2748/4885

“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.