SCHEMBL3517005

SCHEMBL3517005

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.43
CSF1R P07333 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 2/20 0.42
HSD17B2 P37059 1/20 0.41
CDC25B P30305 1/20 0.40
TSHR P16473 1/20 0.40
DPP4 P27487 1/20 0.39
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 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
SCHEMBL5064664 0.90 UCHL1 (0.43) UCHL1CSF1RMAPTLMNAHTT
SCHEMBL10233945 0.88 HIF1A (0.40) UCHL1CSF1RMAPTLMNAHTT
SCHEMBL389893 0.87 CSF1R (0.44) CSF1RMAPTLMNAHTTHIF1A
SCHEMBL10184702 0.85 TSHR (0.42) UCHL1HIF1ATSHRGAAALDH1A1
SCHEMBL14929238 0.84 CA1 (0.56) UCHL1LMNAHIF1AHSD17B2TSHR
SCHEMBL4513021 0.84 CYP4F2 (0.53) UCHL1HIF1ATSHRALDH1A1LPL
SCHEMBL1852340 0.83 ROCK1 (0.43) UCHL1MAPTHIF1ATSHRSMN1; SMN2
SCHEMBL2782538 0.83 CA1 (0.43) UCHL1MAPTHIF1ATSHRGAA
SCHEMBL25225416 0.82 CSF1R (0.44) CSF1RMAPTHIF1ASMN1; SMN2TDP1
SCHEMBL22408213 0.82 HIF1A (0.45) UCHL1LMNAHIF1ATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014186704-A2 NOVEL COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS N30 PHARMACEUTICALS, INC. (US) 2014-11-20 WO disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A UCHL1 4356/4885CSF1R 554/4885MAPT 4070/4885

“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.