SCHEMBL6090589

SCHEMBL6090589

CCC(O)(CC)c1ccc2c(N)noc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ PIKFYVE Q9Y2I7 2/20 0.34
▸ IDO1 P14902 3/20 0.34
▸ ESR1 P03372 6/20 0.33
▸ ESR2 Q92731 6/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ MLYCD O95822 1/20 0.32
▸ MASP2 O00187 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.30

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
SCHEMBL6088948 0.88 PIKFYVE (0.37) F9EPHX2PIKFYVEIDO1ESR1
SCHEMBL14039533 0.83 F9 (0.36) F9MAPK14EPHX2IDO1ESR1
SCHEMBL1690350 0.79 F9 (0.43) F9MAPK14EPHX2IDO1
SCHEMBL18302280 0.76 EPHX2 (0.56) EPHX2
SCHEMBL12012754 0.72 NOS3 (0.39) F9MAPK14IDO1LCKCSF1R
SCHEMBL13893639 0.71 NPC1 (0.38) F9EPHX2IDO1ESR1ESR2
SCHEMBL21929348 0.70 KDM4E (0.47) F9MAPK14EPHX2IDO1ESR1
SCHEMBL8233882 0.70 F9 (0.47) F9MAPK14IDO1ESR1ESR2
SCHEMBL30765144 0.70 ESR1 (0.58) ESR1ESR2HSP90AA1
SCHEMBL16360885 0.70 ESR1 (0.58) ESR1ESR2HSP90AA1

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 2 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
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 F9 4128/4885MAPK14 1803/4885EPHX2 4326/4885

“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.

Send feedback