SCHEMBL10109196

SCHEMBL10109196

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 4/20 0.39
BRD4 O60885 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
KDM2B Q8NHM5 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
SCHEMBL10108869 0.97 SMN1; SMN2 (0.43) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL317936 0.97 SMN1; SMN2 (0.43) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL317931 0.88 HTR2A (0.46) ALDH1A1BRD4KDM4EPOLBLMNA
SCHEMBL10108800 0.88 HTR2A (0.46) ALDH1A1BRD4KDM4EPOLBLMNA
SCHEMBL316990 0.87 ALDH1A1 (0.44) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL10108994 0.87 ALDH1A1 (0.44) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL10108835 0.85 HTR2A (0.46) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA
SCHEMBL318181 0.85 HTR2A (0.46) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA
SCHEMBL10659498 0.83 KMT2A (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL10915013 0.83 KMT2A (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1CYP3A4

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 SMN1; SMN2 1932/4885PDE4A 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.