SCHEMBL7611643

SCHEMBL7611643

COc1ccc(-c2cccc(C(=O)O)c2)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
ERN1 O75460 1/20 0.54
PTPN11 Q06124 1/20 0.53
KMO O15229 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
ACLY P53396 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51

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
SCHEMBL12171921 0.87 MYC (0.57) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7502240 0.86 ALDH1A1 (0.62) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL5151529 0.86 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL1710823 0.85 HPGD (0.50) PDE4APDE4BPDE4CPDE4DCYP1A2
Benzoic Acid SCHEMBL11509726 0.83 CYP1A2 (0.77) CYP1A2CYP2D6HPGDCYP2C19ALDH1A1
SCHEMBL36091 0.82 ALDH1A1 (0.76) CYP1A2CYP2D6HPGDCYP2C19ALDH1A1
SCHEMBL31652866 0.82 ALDH1A1 (0.76) CYP1A2CYP2D6HPGDCYP2C19ALDH1A1
SCHEMBL23296172 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DERN1
SCHEMBL5149280 0.82 LMNA (0.69) PDE4APDE4BPDE4CPDE4DERN1
SCHEMBL3924409 0.80 MAPT (0.57) CYP1A2CYP2D6HPGDCYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410547-B1 (4-OXY-3-(ARYL)PHENYL)PYRIDINE FOR TREATMENT, PROPHYLAXIS OF INFLAMMATION, ESP. INFLAMMATORY OR OBSTRUCTIVE DISEASES OF THE AIRWAYS, E.G. FOR ASTHMA THERAPY; INHIBITORS OF PDE 4 ISOENZYME; DOWN REGULATE OR INHIBIT TNF-ALPHA RELEASE NOVARTIS AG (CH) 2002-06-25 US disclosed
US-20020028831-A1 Phenylpyridine derivatives useful as phosphodiesterase inhibitors MANLEY PAUL W (CH) 2002-03-07 US disclosed
US-6288092-B1 BIPHENYL PYRIDINES, BENZAMIDES AND PENYLCARBOXY COMPOUNDS USED AS SELECTIVE INHIBITORS OF PHOSPHODIESTERASE 4 ISOENZYME ACTIVITY AND DOWN REGULATORS OR INHIBIT TUMOR NECROSIS FACTOR RELEASE; ANTIHISTAMINES AND ANTIINFLAMMATORY NOVARTIS AG (CH) 2001-09-11 US disclosed
US-6258843-B1 DRUGS AS ENZYME INHIBITORS NOVARTIS AG (CH) 2001-07-10 US disclosed
US-6090817-A Phenylpyridine derivatives useful as phosphodiesterase inhibitors NOVARTIS AG (CH) 2000-07-18 US 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-20020028831-A1 Phenylpyridine derivatives useful as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4B 2/4885PDE4C 6/4885

“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.