SCHEMBL10108869

SCHEMBL10108869

CCOC(=O)C[C@H]1CCC[C@H]1c1cc(OC)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
BRD4 O60885 2/20 0.37
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
SIRT3 Q9NTG7 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
SCHEMBL317936 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL10109196 0.97 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL318181 0.88 HTR2A (0.46) SMN1; SMN2ALDH1A1
SCHEMBL10108835 0.88 HTR2A (0.46) SMN1; SMN2ALDH1A1
SCHEMBL10108800 0.85 HTR2A (0.46) ALDH1A1BRD4
SCHEMBL317931 0.85 HTR2A (0.46) ALDH1A1BRD4
SCHEMBL316990 0.84 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL10108994 0.84 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL10659498 0.81 KMT2A (0.41) SMN1; SMN2ALDH1A1HDAC8HDAC6HDAC1
SCHEMBL10915013 0.81 KMT2A (0.41) SMN1; SMN2ALDH1A1HDAC8HDAC6HDAC1

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 SMN1; SMN2 1932/4885ALDH1A1 1735/4885PDE4A 2708/4885

“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.