SCHEMBL6794698

SCHEMBL6794698

CCC1c2cc(O)ccc2CC12Cc1ccc(O)cc1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GLA P06280 2/20 0.40
CYP2D6 P10635 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
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 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
SCHEMBL6796424 0.85 SHBG (0.40) MEN1KMT2ACYP2D6TSHRSHBG
SCHEMBL6794061 0.79 OPRM1 (0.37) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL6799504 0.77 CYP26A1 (0.44) MEN1KMT2ANPC1ALDH1A1CYP3A4
SCHEMBL6801524 0.77 OPRM1 (0.37) MEN1KMT2AGLACYP2D6GAA
SCHEMBL6795255 0.72 OPRM1 (0.37) OPRM1OPRD1OPRK1SHBGDRD2
SCHEMBL22992471 0.71 HTR2C (0.38) OPRM1OPRK1HTR1AADRB2
SCHEMBL6800364 0.71 ESR1 (0.38) CYP2D6LMNATSHRDRD2DRD3
SCHEMBL6797675 0.69 SHBG (0.44) CYP2D6LMNATSHROPRM1OPRD1
SCHEMBL9355063 0.68 ESR2 (0.47) MEN1KMT2ACYP2D6SHBGDRD2
SCHEMBL6798568 0.68 OPRM1 (0.39) OPRM1OPRD1OPRK1SHBGESR1

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 MEN1 1785/4885KMT2A 2250/4885GLA 404/4885

“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.