SCHEMBL4474308

SCHEMBL4474308

Cc1ccc(Cl)c(OBOc2cc(C)ccc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
L3MBTL1 Q9Y468 7/20 0.49
HPGD P15428 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
ACHE P22303 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 3/20 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
SCHEMBL3749110 0.87 ACHE (0.46) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL19886483 0.83 MAPT (0.50) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL594053 0.77 ACHE (0.44) HPGDCYP2C9POLBALDH1A1KMT2A
SCHEMBL128701 0.77 MAPT (0.67) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL769716 0.77 TP53 (0.46) MAPTHPGDCYP2C9CYP2C19ALDH1A1
SCHEMBL14516844 0.76 MAPT (0.50) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL7921254 0.76 MAPT (0.50) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL7921257 0.76 MAPT (0.50) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL262721 0.75 CA12 (0.48) MAPTL3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL4469317 0.74 SLC6A4 (0.37) HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-01-17 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2006060762-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 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 (2 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-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto HTR5A, HTR2A, HTR3A MAPT 764/4885L3MBTL1 4310/4885HPGD 2047/4885
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 MAPT 3519/4885L3MBTL1 4338/4885HPGD 1870/4885

“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.