SCHEMBL4406522

SCHEMBL4406522

COc1cc(O)cc(C(=O)C(=O)O)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
APP P05067 2/20 0.40
POLB P06746 2/20 0.39
RECQL P46063 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 2/20 0.38
PTGS2 P35354 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALOX5 P09917 1/20 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
SCHEMBL4404857 0.86 APP (0.49) MAPTCYP3A4APPPOLBRECQL
SCHEMBL4409280 0.83 SMN1; SMN2 (0.41) MAPTCYP3A4HTTRAB9ALMNA
SCHEMBL4406552 0.82 TSHR (0.41) CYP3A4GAAPTGS2CA12CA1
SCHEMBL10712987 0.77 CYP3A4 (0.61) MAPTCYP3A4APPPTGS2CA12
SCHEMBL4409356 0.76 KDM4E (0.43) MAPTRAB9AMAPK1NPC1KDM4E
SCHEMBL4412863 0.76 NPC1 (0.43) MAPTCYP3A4POLBRECQLGAA
SCHEMBL4399166 0.74 LMNA (0.42) CYP3A4PKMPTGS2CA12CA1
SCHEMBL5382289 0.72 HTT (0.41) MAPTCYP3A4RECQLGAAPKM
SCHEMBL19921723 0.71 CYP3A4 (0.54) MAPTCYP3A4PTGS2ALOX5HTT
SCHEMBL4405917 0.71 HSD17B10 (0.49) MAPTCYP3A4APPPOLBRECQL

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
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 MAPT 3541/4885CYP3A4 2224/4885APP 3068/4885

“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.