SCHEMBL6249986

SCHEMBL6249986

CCCCC12CCC(=O)C=C1CCc1cc(OC)ccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.67
NR3C1 P04150 1/20 0.46
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM1A O60341 1/20 0.38
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37
DRD4 P21917 2/20 0.37
BACE1 P56817 1/20 0.37
CYP2C19 P33261 1/20 0.36
ADRA2A P08913 1/20 0.36
PARP1 P09874 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL6565555 0.93 AR (0.69) ARNR3C1ESR1ESR2ALDH1A1
SCHEMBL3910141 0.88 AR (0.72) ARNR3C1ALDH1A1LMNACYP3A4
SCHEMBL12272182 0.86 AR (0.60) ARNR3C1ESR1ESR2ALDH1A1
SCHEMBL6247392 0.84 AR (0.64) ARNR3C1ESR1ESR2ALDH1A1
SCHEMBL3910326 0.81 AR (0.67) ARNR3C1ALDH1A1LMNACYP3A4
SCHEMBL12273326 0.81 AR (0.63) ARNR3C1ALDH1A1LMNAKDM1A
SCHEMBL12272913 0.81 AR (0.63) ARNR3C1ALDH1A1LMNAKDM1A
SCHEMBL12272588 0.81 AR (0.63) ARNR3C1ALDH1A1LMNAKDM1A
SCHEMBL6251089 0.81 AR (0.47) ARESR1ESR2KDM1ABACE1
SCHEMBL3288674 0.80 AR (1.00) ARNR3C1ESR2BACE1

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
EP-1399406-B1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KAROBIO AB (SE) 2005-08-10 EP disclosed
US-20040127576-A1 Estrogen receptor modulators KARO BIO AB (SE) 2004-07-01 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-20040127576-A1 Estrogen receptor modulators GPER1, ESRRA, ESRRB AR 29/4885NR3C1 28/4885ESR1 6/4885

“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.