SCHEMBL10109203

SCHEMBL10109203

COc1cc(OC)c2c(c1)[C@@H]1CCCC[C@@H]1CC2=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAP2K3 P46734 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
PPOX P50336 1/20 0.35
HTT P42858 1/20 0.35
CYP19A1 P11511 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL10473837 1.00 ACHE (0.47) ACHEALDH1A1CYP3A4KDM4EHPGD
SCHEMBL318656 1.00 ACHE (0.47) ACHEALDH1A1CYP3A4KDM4EHPGD
SCHEMBL318401 0.97 ACHE (0.47) ACHEALDH1A1CYP3A4KDM4EHPGD
SCHEMBL10108876 0.97 ACHE (0.47) ACHEALDH1A1CYP3A4KDM4EHPGD
SCHEMBL10108810 0.76 LMNA (0.47) ACHEALDH1A1CYP3A4KDM4EMAP2K3
SCHEMBL318058 0.76 LMNA (0.47) ACHEALDH1A1CYP3A4KDM4EMAP2K3
SCHEMBL318173 0.73 LMNA (0.47) ACHEALDH1A1CYP3A4KDM4EMAP2K3
SCHEMBL10108843 0.73 LMNA (0.47) ACHEALDH1A1CYP3A4KDM4EMAP2K3
SCHEMBL318168 0.73 ACHE (0.46) ACHEALDH1A1CYP3A4KDM4EMAPK1
SCHEMBL10109000 0.73 ACHE (0.46) ACHEALDH1A1CYP3A4KDM4EMAPK1

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 4 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-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
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 ACHE 2396/4885ALDH1A1 1735/4885CYP3A4 2004/4885

“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.