SCHEMBL3008337

SCHEMBL3008337

OCCOc1cccc(CCc2ccc(OCc3ccccc3)nn2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
FFAR1 O14842 3/20 0.47
GLS O94925 6/20 0.44
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
CYP2D6 P10635 1/20 0.41
BCHE P06276 2/20 0.40
ABCB1 P08183 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
NR4A2 P43354 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL3005962 0.88 LTA4H (0.51) FFAR1ALDH1A1RECQLBCHEMCHR1
SCHEMBL3007785 0.86 CYP4F2 (0.55) CYP4F2CYP4A11FFAR1ALDH1A1ABCB1
SCHEMBL2998200 0.84 FFAR1 (0.43) CYP4F2CYP4A11FFAR1ALDH1A1RECQL
SCHEMBL3011066 0.82 LTA4H (0.55) ALDH1A1MCHR1
SCHEMBL3006050 0.82 FFAR1 (0.42) CYP4F2CYP4A11FFAR1GLSALDH1A1
SCHEMBL3002974 0.81 CYP4F2 (0.47) CYP4F2CYP4A11FFAR1ALDH1A1ABCB1
SCHEMBL3002950 0.79 FFAR1 (0.47) CYP4F2CYP4A11FFAR1ALDH1A1MCHR1
SCHEMBL3827703 0.77 FFAR1 (0.44) CYP4F2CYP4A11FFAR1ALDH1A1ABCB1
SCHEMBL4591781 0.77 MCHR1 (0.52) FFAR1CYSLTR1MCHR1
SCHEMBL2993288 0.77 MCHR1 (0.57) FFAR1ALDH1A1RECQLMCHR1

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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R CYP4F2 1005/4885CYP4A11 1201/4885FFAR1 202/4885

“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.