SCHEMBL12601253

SCHEMBL12601253

CC(C)(O)c1ccc2ccc(O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.47
ESR2 Q92731 8/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
TYR P14679 2/20 0.43
AR P10275 1/20 0.43
HPGD P15428 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR6 P50406 1/20 0.43
ESRRG P62508 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
ALOX15 P16050 2/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL12601245 0.94 CYP1A2 (0.48) ESR1ESR2CYP1A2CYP3A4HSD17B10
SCHEMBL547580 0.89 PTPN1 (0.43) ESR1ESR2CYP1A2CYP3A4HSD17B10
SCHEMBL18161365 0.85 LMNA (0.56) ESR1ESR2CYP1A2CYP3A4HSD17B10
SCHEMBL547724 0.82 PTPN1 (0.40) ESR1ESR2CYP3A4HSD17B10TSHR
SCHEMBL19359671 0.79 ESR1 (0.42) ESR1ESR2CYP1A2CYP3A4HSD17B10
SCHEMBL10224683 0.79 ESR1 (0.44) ESR1ESR2CYP1A2CYP3A4HSD17B10
SCHEMBL1779449 0.79 ESR1 (0.44) ESR1ESR2CYP1A2CYP3A4HSD17B10
SCHEMBL548731 0.78 PTPN1 (0.50) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL2048078 0.78 LMNA (0.58) ESR1ESR2CYP1A2CYP3A4HSD17B10
SCHEMBL11275540 0.77 TAAR1 (0.42) ESR1ESR2CYP1A2CYP3A4HSD17B10

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-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

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.