SCHEMBL4813639

SCHEMBL4813639

N#Cc1ccc(F)cc1Oc1ccc(C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.46
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SLC22A12 Q96S37 5/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
KMT2A Q03164 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
PLA2G7 Q13093 1/20 0.38

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
SCHEMBL8551880 0.86 AR (0.53) ARALDH1A1POLBGAAFNTA
SCHEMBL14656413 0.85 SLC22A12 (0.48) ARALDH1A1L3MBTL1POLBGAA
SCHEMBL28676047 0.84 AR (0.46) ARALDH1A1POLBGAASLC22A12
SCHEMBL3164186 0.81 GAA (0.63) ARALDH1A1POLBGAAKMT2A
SCHEMBL22169511 0.80 AR (0.54) ARALDH1A1POLBGAASLC22A12
SCHEMBL6742359 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1POLBKMT2AKDM4E
SCHEMBL4809997 0.79 SLC22A12 (0.47) ARALDH1A1L3MBTL1POLBSLC22A12
SCHEMBL2810532 0.77 ALDH1A1 (0.45) ALDH1A1L3MBTL1POLBGAAKMT2A
SCHEMBL14661877 0.77 EPAS1 (0.50) SLC22A12FFAR4
SCHEMBL25285812 0.76 CYP19A1 (0.50) ARALDH1A1CYP19A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699783-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-07-25 EP disclosed
EP-1699783-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-07-25 EP disclosed
US-7414132-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-7414132-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-7414132-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
EP-1699783-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-09-13 EP disclosed
WO-2005066164-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-07-21 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-20070112036-A1 Opioid receptor antagonists OPRM1, OPRD1, OPRK1 AR 229/4885ALDH1A1 2092/4885L3MBTL1 478/4885

“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.