SCHEMBL6806282

SCHEMBL6806282

CC/C=C1\c2ccc(O)cc2CCC12Cc1ccc(O)cc1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 18/20 0.41
ESR1 P03372 15/20 0.41
MEN1 O00255 2/20 0.40
GLA P06280 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
NR1I2 O75469 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6801825 1.00 ESR2 (0.41) ESR2ESR1MEN1GLAKMT2A
SCHEMBL6800875 0.85 ESR2 (0.38) ESR2ESR1MEN1GLAKMT2A
SCHEMBL6798576 0.76 MIF (0.54) ESR1
SCHEMBL6806404 0.75 ESR2 (0.39) ESR2ESR1MEN1GLAKMT2A
SCHEMBL6806169 0.75 MAOA (0.46) ESR2ESR1
SCHEMBL6796147 0.72 MEN1 (0.39) ESR2ESR1MEN1GLAKMT2A
SCHEMBL6802692 0.72 MEN1 (0.39) ESR2ESR1MEN1GLAKMT2A
SCHEMBL6800723 0.69 ESR2 (0.46) ESR2ESR1
SCHEMBL6800174 0.69 PBRM1 (0.49) ESR2ESR1
SCHEMBL6796152 0.68 SMN1; SMN2 (0.53) ESR2ESR1MEN1KMT2AGAA

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-20040082642-A1 Novel estrogen receptor ligands and method III MERCK & CO., INC. 2004-04-29 US claimed
US-20040082642-A1 Novel estrogen receptor ligands and method III MERCK & CO., INC. 2004-04-29 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-20040082642-A1 Novel estrogen receptor ligands and method III ESRRA, ESRRB, FSHR ESR2 5/4885ESR1 19/4885MEN1 1785/4885

“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.