SCHEMBL4403779

SCHEMBL4403779

CCOc1ccc(Cl)c(CC(=O)O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
POLB P06746 3/20 0.44
ALDH1A1 P00352 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 1/20 0.41
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 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
SCHEMBL16267688 0.84 AKR1B1 (0.49) AKR1B1POLBALDH1A1GLARORC
SCHEMBL4411829 0.84 RXRA (0.44) POLBALDH1A1RXRARXRBRXRG
SCHEMBL4403785 0.81 ALDH1A1 (0.39) POLBALDH1A1L3MBTL1RORCLMNA
SCHEMBL4403330 0.79 TSHR (0.44) RXRARXRBRXRGGLAL3MBTL1
SCHEMBL18301625 0.79 AKR1B1 (0.57) AKR1B1RORCLMNAKMT2AMAPT
SCHEMBL30812814 0.79 AKR1B1 (0.57) AKR1B1RORCLMNAKMT2AMAPT
SCHEMBL4404727 0.78 KDM4E (0.45) POLBALDH1A1GLAL3MBTL1RORC
SCHEMBL9899219 0.78 GLA (0.46) RXRARXRBRXRGGLAL3MBTL1
SCHEMBL4412766 0.77 TSHR (0.42) POLBALDH1A1RXRARXRBRXRG
SCHEMBL4406981 0.76 RORC (0.41) POLBGLAL3MBTL1RORCMEN1

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 AKR1B1 825/4885POLB 527/4885ALDH1A1 1779/4885

“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.