SCHEMBL4403785

SCHEMBL4403785

CCOc1ccc(Cl)c(CO)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
RORC P51449 1/20 0.39
LARS1 Q9P2J5 2/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4403264 0.82 L3MBTL1 (0.40) ALDH1A1POLBHPGDTSHRMAPT
SCHEMBL4403779 0.81 AKR1B1 (0.46) ALDH1A1POLBRORCTSHRMAPT
SCHEMBL17527769 0.77 L3MBTL1 (0.48) ALDH1A1POLBHPGDTSHRMAPT
SCHEMBL28892422 0.77 L3MBTL1 (0.41) ALDH1A1POLBHPGDTSHRMAPT
SCHEMBL4398340 0.76 TSHR (0.41) ALDH1A1POLBHPGDTSHRMAPT
SCHEMBL29970924 0.75 TAAR1 (0.41) ALDH1A1RORCMAPTRAB9AKDM4E
SCHEMBL20534630 0.75 TAAR1 (0.41) ALDH1A1RORCMAPTRAB9AKDM4E
SCHEMBL6837380 0.75 L3MBTL1 (0.49) ALDH1A1POLBHPGDMAPTL3MBTL1
SCHEMBL4412687 0.75 ALDH1A1 (0.41) ALDH1A1POLBRORCLARS1HPGD
SCHEMBL17414242 0.75 TAAR1 (0.39) HPGDSMN1; SMN2KDM4E

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 ALDH1A1 1779/4885POLB 527/4885RORC 1445/4885

“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.