SCHEMBL317977

SCHEMBL317977

COc1ccc(C2C(=O)c3c(OC)cc(OC)cc3C3CCCCC32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 1/20 0.40
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ESR2 Q92731 1/20 0.36
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 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
SCHEMBL10109207 1.00 MAP2K3 (0.40) MAP2K3ACHELMNAALDH1A1ESR2
SCHEMBL318171 0.98 MAP2K3 (0.40) MAP2K3ACHELMNAALDH1A1ESR2
SCHEMBL10108879 0.98 MAP2K3 (0.40) MAP2K3ACHELMNAALDH1A1ESR2
SCHEMBL10109212 0.87 MAPT (0.41) ALDH1A1ESR2KMT2AKDM4EABCG2
SCHEMBL317629 0.87 MAPT (0.41) ALDH1A1ESR2KMT2AKDM4EABCG2
SCHEMBL10109151 0.85 MAPT (0.41) ALDH1A1ESR2KMT2AKDM4EABCG2
SCHEMBL317662 0.85 MAPT (0.41) ALDH1A1ESR2KMT2AKDM4EABCG2
SCHEMBL317798 0.81 ESR2 (0.49) ACHELMNAALDH1A1ESR2KMT2A
SCHEMBL10108815 0.81 ESR2 (0.49) ACHELMNAALDH1A1ESR2KMT2A
SCHEMBL10109009 0.79 ESR2 (0.42) MAP2K3ACHELMNAALDH1A1ESR2

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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US disclosed
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 WO 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 MAP2K3 3457/4885ACHE 2396/4885LMNA 2755/4885

“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.