SCHEMBL4809997

SCHEMBL4809997

N#Cc1ccc(Oc2ccc(C=O)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.47
ESRRA P11474 1/20 0.43
AR P10275 4/20 0.42
TRPV4 Q9HBA0 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2A6 P11509 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL14656239 0.87 SLC22A12 (0.47) SLC22A12ESRRAARTRPV4ALDH1A1
SCHEMBL14661910 0.85 AR (0.50) SLC22A12ESRRAARTRPV4
SCHEMBL25285812 0.85 CYP19A1 (0.50) ESRRAARPARP10PARP3ALDH1A1
SCHEMBL29965252 0.85 CYP19A1 (0.50) ESRRAARPARP10PARP3ALDH1A1
SCHEMBL10535321 0.85 TRPV4 (0.55) SLC22A12ARTRPV4CYP11B1CYP11B2
SCHEMBL8551880 0.83 AR (0.53) ESRRAARPARP10PARP3POLB
SCHEMBL923510 0.81 TRPV4 (0.52) TRPV4ALDH1A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL29630883 0.81 TRPV4 (0.52) TRPV4ALDH1A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL3696845 0.81 AR (0.51) SLC22A12ESRRAARTRPV4PARP10
SCHEMBL14662287 0.80 AR (0.54) ESRRAAR

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 SLC22A12 1892/4885ESRRA 88/4885AR 229/4885

“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.