SCHEMBL6794599

SCHEMBL6794599

Oc1ccc2c(c1)CC1(Cc3ccccc3C1)C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.49
ESR1 P03372 6/20 0.49
DRD1 P21728 11/20 0.49
DRD2 P14416 10/20 0.49
DRD5 P21918 9/20 0.49
DRD3 P35462 8/20 0.49
DRD4 P21917 6/20 0.49
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL6799659 0.93 DRD2 (0.45) ESR2ESR1DRD1DRD2DRD5
SCHEMBL6801258 0.87 DRD1 (0.47) ESR2ESR1DRD1DRD2DRD5
SCHEMBL6799175 0.87 DRD1 (0.47) ESR2ESR1DRD1DRD2DRD5
SCHEMBL6797459 0.79 DRD2 (0.43) ESR2ESR1DRD1DRD2DRD5
SCHEMBL21326866 0.79 DRD2 (0.40) ESR2ESR1DRD1DRD2DRD5
SCHEMBL6796118 0.79 ESR1 (0.42) ESR2ESR1DRD1DRD2DRD5
SCHEMBL196204 0.78 SIGMAR1 (0.44) DRD1DRD2DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL21326854 0.78 ESR1 (0.39) ESR2ESR1DRD1DRD2DRD5
Bromide SCHEMBL21326962 0.78 ESR1 (0.39) ESR2ESR1DRD1DRD2DRD5
SCHEMBL3778634 0.77 SIGMAR1 (0.62) DRD2DRD3DRD4

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 3 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 disclosed
EP-1339662-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2003-09-03 EP disclosed
WO-2002046134-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2002-06-13 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-20040082642-A1 Novel estrogen receptor ligands and method III ESRRA, ESRRB, FSHR ESR2 5/4885ESR1 19/4885DRD1 2636/4885

“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.