SCHEMBL1082554

SCHEMBL1082554

CCCCCNc1ccc(Oc2ccc(Nc3ccc(F)cc3)cc2)cc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 1/20 0.43
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
P2RX3 P56373 4/20 0.40
TBXA2R P21731 2/20 0.39
FAAH O00519 1/20 0.39
PNLIP P16233 1/20 0.39
BRAF P15056 1/20 0.39
HDAC1 Q13547 1/20 0.39
PLK1 P53350 2/20 0.38
HPGD P15428 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
SCHEMBL15635588 0.79 KDM4E (0.46) CNR2CNR1HDAC1HPGD
SCHEMBL1074406 0.79 KDM4E (0.46) MTNR1AMTNR1BPNLIPBRAFHDAC1
SCHEMBL4566591 0.78 CNR2 (0.41) CNR2PLK1HPGD
SCHEMBL3511250 0.78 KDM4E (0.45) MTNR1AMTNR1BPNLIPBRAFHDAC1
SCHEMBL1081781 0.78 CNR2 (0.39) CNR2CNR1PLK1
SCHEMBL1026182 0.76 BRAF (0.59) P2RX3BRAFHDAC1HPGD
SCHEMBL1081632 0.74 HCAR3 (0.49)
SCHEMBL1467336 0.74 LMNA (0.44)
SCHEMBL9195780 0.74 PLK1 (0.52) CNR2CNR1PLK1HPGD
SCHEMBL1075649 0.73 AKR1C2 (0.48) PLK1HPGD

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
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R KCNH3 2283/4885CNR2 161/4885CNR1 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.