SCHEMBL3856791

SCHEMBL3856791

CCOC(=O)c1oc2ccc(C(CC)(CC)c3ccc(O)c(C)c3)cc2c1C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 14/20 0.55
ESR1 P03372 2/20 0.51
AR P10275 1/20 0.51
ESR2 Q92731 1/20 0.51
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
PARG Q86W56 2/20 0.48
USP2 O75604 1/20 0.47

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
SCHEMBL20893357 0.82 HIF1A (0.71) HIF1APARGUSP2
SCHEMBL3852307 0.81 VDR (0.65) HIF1AAR
SCHEMBL1474090 0.79 MEN1 (0.60) HIF1ANPC1MAPTRAB9APARG
SCHEMBL5972114 0.78 HIF1A (0.52) HIF1AARPARG
SCHEMBL3853421 0.78 ESR1 (0.52) ESR1ARESR2MAPTUSP2
SCHEMBL19661983 0.77 KCNH2 (0.66) HIF1ANPC1MAPTRAB9APARG
SCHEMBL10743403 0.76 GPR35 (0.64) HIF1ANPC1MAPTRAB9APARG
SCHEMBL3850703 0.75 ESR1 (0.52) ESR1ARESR2MAPTRAB9A
SCHEMBL16732898 0.75 KDM4E (0.62) HIF1ANPC1MAPTRAB9APARG
SCHEMBL788918 0.75 KCNH2 (0.67) HIF1ANPC1MAPTRAB9APARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US 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-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 HIF1A 872/4885ESR1 174/4885AR 437/4885

“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.