SCHEMBL1777181

SCHEMBL1777181

CCC(O)(CC)c1ccc2cc(O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.46
ESR2 Q92731 9/20 0.45
CYP1A2 P05177 2/20 0.43
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 2/20 0.40
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
AR P10275 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B1 P14061 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL1779449 0.94 ESR1 (0.44) ESR1ESR2CYP1A2HSD17B10CYP3A4
SCHEMBL31015724 0.81 ESR1 (0.45) ESR1ESR2CYP1A2HSD17B10CYP3A4
SCHEMBL10040417 0.81 ESR1 (0.45) ESR1ESR2CYP1A2HSD17B10CYP3A4
SCHEMBL9307408 0.79 ESR1 (0.62) ESR1ESR2CYP1A2HSD17B10CYP3A4
SCHEMBL29210903 0.78 HSD17B10 (0.44) ESR1ESR2CYP1A2HSD17B10CYP3A4
SCHEMBL20408454 0.78 ESR1 (0.42) ESR1ESR2CYP1A2HSD17B10CYP3A4
SCHEMBL12601245 0.78 CYP1A2 (0.48) ESR1ESR2CYP1A2HSD17B10CYP3A4
SCHEMBL4379660 0.76 ALDH1A1 (0.44) ESR1ESR2HSD17B10CYP3A4TSHR
SCHEMBL10224683 0.76 ESR1 (0.44) ESR1ESR2CYP1A2HSD17B10CYP3A4
SCHEMBL2048078 0.75 LMNA (0.58) ESR1ESR2CYP1A2HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
EP-1836151-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2007-09-26 EP disclosed
WO-2006069153-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-06-29 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-20090234001-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 ESR1 521/4885ESR2 116/4885CYP1A2 439/4885

“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.