SCHEMBL10109313

SCHEMBL10109313

CCOC(=O)CCc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1[C@H](c1ccc(OC)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
ESR1 P03372 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 1/20 0.34
LMNA P02545 1/20 0.33
KLK7 P49862 1/20 0.33

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
SCHEMBL318387 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBTDP1TSHR
SCHEMBL319132 0.85 HTR2A (0.37) ALDH1A1TSHRMEN1KMT2AESR1
SCHEMBL10109300 0.85 HTR2A (0.37) ALDH1A1TSHRMEN1KMT2AESR1
SCHEMBL10109308 0.79 L3MBTL1 (0.44) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL318452 0.79 L3MBTL1 (0.44) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL318451 0.79 L3MBTL1 (0.44) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL10109277 0.79 LMNA (0.44) MEN1KMT2ALMNA
SCHEMBL318347 0.78 KMT2A (0.42) MEN1KMT2AHTTLMNA
SCHEMBL10109270 0.78 KMT2A (0.42) MEN1KMT2AHTTLMNA
SCHEMBL10109290 0.78 TUBB4A (0.40) ALDH1A1KDM4EMEN1KMT2AHTT

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 ALDH1A1 1735/4885KDM4E 2531/4885POLB 2196/4885

“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.