SCHEMBL3007783

SCHEMBL3007783

CC(c1cccc(CCO)c1)c1ccc(OCc2ccccc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.39
RRM1 P23921 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
FFAR1 O14842 2/20 0.37
ALOX5 P09917 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3002771 0.83 GAA (0.38) GAAALDH1A1LMNAHTTFFAR1
SCHEMBL3011586 0.81 MAOA (0.49) GAAALDH1A1LMNAHTTFFAR1
SCHEMBL3007785 0.75 CYP4F2 (0.55) CYP4F2CYP4A11GAAALDH1A1TRPV3
SCHEMBL21922352 0.75 GAA (0.53) GAAALDH1A1TRPV3LMNAHTT
SCHEMBL3000996 0.74 GAA (0.43) GAAALDH1A1LMNAHTTFFAR1
SCHEMBL3012020 0.71 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1LMNAHTT
SCHEMBL4274920 0.70 LMNA (0.55) GAAALDH1A1LMNAHTTALOX5
SCHEMBL3002974 0.70 CYP4F2 (0.47) CYP4F2CYP4A11GAAALDH1A1LMNA
SCHEMBL1241139 0.67 TDP1 (0.46) CYP4F2CYP4A11GAAALDH1A1HTT
SCHEMBL3003517 0.67 MCHR1 (0.44) CYP4F2CYP4A11GAAALDH1A1TRPV3

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 1201/4885GAA 892/4885

“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.