SCHEMBL4403264

SCHEMBL4403264

CCOc1ccc(F)c(CO)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
FGFR2 P21802 1/20 0.39
KDM1A O60341 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL28892422 0.87 L3MBTL1 (0.41) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL4403785 0.82 ALDH1A1 (0.39) L3MBTL1ALDH1A1POLBCYP1A2CYP2D6
SCHEMBL20946425 0.81 AOC3 (0.47) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL4399022 0.81 ROCK2 (0.38) L3MBTL1HTTTDP1TUBB1RAB9A
SCHEMBL31719480 0.81 ROCK2 (0.38) L3MBTL1HTTTDP1TUBB1RAB9A
SCHEMBL24240291 0.80 L3MBTL1 (0.47) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL4411829 0.80 RXRA (0.44) L3MBTL1ALDH1A1POLBTSHRHSD17B10
SCHEMBL17527769 0.79 L3MBTL1 (0.48) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL4398340 0.79 TSHR (0.41) L3MBTL1KDM1AALDH1A1HTTPOLB
SCHEMBL20239389 0.78 L3MBTL1 (0.51) L3MBTL1ALDH1A1POLBCYP1A2CYP2D6

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 L3MBTL1 3772/4885FGFR2 212/4885KDM1A 839/4885

“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.