SCHEMBL3189296

SCHEMBL3189296

CCOC(=O)CC(=O)c1ccc(OC)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 1/20 0.61
TAS1R3 Q7RTX0 7/20 0.53
TAS1R1 Q7RTX1 7/20 0.53
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KCNH2 Q12809 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE4D Q08499 1/20 0.45

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
SCHEMBL15657696 0.89 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL31314527 0.87 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL2848397 0.87 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL10568457 0.85 MEN1 (0.64) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL1348885 0.85 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL31299787 0.85 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL16273617 0.85 RORC (0.49) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL31493234 0.83 MEN1 (0.61) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL9471937 0.82 HSP90AA1 (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL12378894 0.82 MEN1 (0.68) ALDH1A1MEN1KMT2AKDM4ETAS1R3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262366-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES Shenogen Pharma Group Ltd. (CN) 2010-12-22 EP disclosed
US-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2010-01-21 US disclosed
WO-2009129372-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2009-10-22 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-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES ESR2, ESR1, ESRRB ALDH1A1 1811/4885MEN1 3679/4885KMT2A 2687/4885

“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.