SCHEMBL10123360

SCHEMBL10123360

CCOC(=O)CCc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1[C@H](C1C=CC(OC)=CC1)C2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10123030 0.87 HTR2A (0.34)
SCHEMBL10123024 0.81 CHRNA7 (0.33) PDE4BPDE4D
SCHEMBL10123195 0.80 HSD11B1 (0.33)
SCHEMBL10123213 0.80 MEN1 (0.31)
SCHEMBL10123362 0.79 ALDH1A1 (0.32) ALDH1A1MAPTKDM4E
SCHEMBL10123131 0.77 CYP19A1 (0.34) ALDH1A1KDM4E
SCHEMBL10123199 0.77 ESR1 (0.34) ALDH1A1MAPTKDM4E
SCHEMBL10109313 0.77 ALDH1A1 (0.38) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL318387 0.77 ALDH1A1 (0.38) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL10123181 0.76

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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG POLB 2196/4885PDE4A 2708/4885PDE4B 3505/4885

“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.