SCHEMBL6091655

SCHEMBL6091655

CCC(O)(CC)c1ccc(O)c(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
GAA P10253 5/20 0.60
PKM P14618 2/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
RECQL P46063 2/20 0.60
KMT2A Q03164 2/20 0.60
ESR1 P03372 10/20 0.50
ESR2 Q92731 5/20 0.50
AR P10275 3/20 0.50
CHEK1 O14757 1/20 0.49
FYN P06241 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
GRK5 P34947 1/20 0.49
MAP2K2 P36507 1/20 0.49
MAPK8 P45983 1/20 0.49
CDK8 P49336 1/20 0.49

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
SCHEMBL6089740 0.86 ESR1 (0.51) ALDH1A1GAAPKMMEN1MAPT
SCHEMBL31364255 0.84 ESR1 (0.68) ALDH1A1GAAPKMMEN1MAPT
SCHEMBL31568749 0.84 ESR1 (0.68) ALDH1A1GAAPKMMEN1MAPT
SCHEMBL28916844 0.81 ALDH1A1 (0.60) ALDH1A1GAAPKMMEN1MAPT
SCHEMBL374909 0.81 ALDH1A1 (0.66) ALDH1A1GAAPKMMEN1MAPT
SCHEMBL3850347 0.80 ESR1 (0.70) ESR1ESR2ARTDP1
SCHEMBL29048574 0.78 ALDH1A1 (0.61) ALDH1A1GAAPKMMEN1MAPT
SCHEMBL31503236 0.77 ESR1 (0.70) ALDH1A1GAAPKMMEN1MAPT
SCHEMBL31364257 0.77 ESR1 (0.70) ALDH1A1GAAPKMMEN1MAPT
SCHEMBL6439061 0.77 ESR1 (0.72) ALDH1A1ESR1ESR2ARALOX15

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-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

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 ALDH1A1 1544/4885GAA 4762/4885PKM 2317/4885

“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.