SCHEMBL20128041

SCHEMBL20128041

Cc1ccc(OC(C)O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC6A2 P23975 2/20 0.36
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
ABCB1 P08183 1/20 0.35
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
TRPA1 O75762 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 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
SCHEMBL12009 0.84 P2RX3 (0.41) MRGPRX4ACHEMEN1MAPTHPGD
SCHEMBL11450812 0.82 KMT2A (0.51) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL17936597 0.82 ACHE (0.39) MRGPRX4ACHEMEN1MAPTHPGD
SCHEMBL15672721 0.80 MRGPRX4 (0.40) MRGPRX4ACHEMEN1MAPTHPGD
SCHEMBL15672725 0.80 MRGPRX4 (0.40) MRGPRX4ACHEMEN1MAPTHPGD
SCHEMBL10052629 0.80 ALDH1A1 (0.49) MRGPRX4ACHEMEN1MAPTKMT2A
SCHEMBL10359314 0.80 HTR2B (0.42) MRGPRX4ACHEMEN1HPGDKMT2A
SCHEMBL171317 0.78 MRGPRX4 (0.38) MRGPRX4ACHE
SCHEMBL10359364 0.77 NPSR1 (0.48) MRGPRX4ACHEMEN1MAPTHPGD
SCHEMBL516009 0.76 LMNA (0.45) ACHEALDH1A1LMNACHRM1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 US disclosed
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 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-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 MRGPRX4 568/4885ACHE 4498/4885MEN1 4104/4885

“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.