SCHEMBL4412474

SCHEMBL4412474

CCOc1cc(OC)cc(C(=O)O)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RCE1 Q9Y256 1/20 0.40
NPC1 O15118 1/20 0.40
APEX1 P27695 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL4395957 0.90 TSHR (0.50) TSHRHSD17B10KDM4EL3MBTL1GAA
SCHEMBL4403271 0.88 KDM4E (0.43) TSHRHSD17B10KDM4ELMNACYP3A4
SCHEMBL4410409 0.88 TSHR (0.45) TSHRHSD17B10KDM4ELMNAALDH1A1
SCHEMBL4404488 0.85 KDM4E (0.47) KDM4ELMNAPOLBCYP3A4ALDH1A1
SCHEMBL29179248 0.81 CTSV (0.54) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL4402939 0.81 TSHR (0.50) TSHRHSD17B10KDM4EL3MBTL1GAA
SCHEMBL16898580 0.79 TSHR (0.57) TSHRHSD17B10KDM4EL3MBTL1GAA
SCHEMBL4395632 0.79 HSD17B10 (0.51) TSHRHSD17B10KDM4EL3MBTL1POLB
SCHEMBL1546492 0.79 KDM4E (0.57) TSHRHSD17B10KDM4ELMNAPOLB
SCHEMBL4395658 0.78 KDM4E (0.49) TSHRHSD17B10KDM4EL3MBTL1GAA

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 TSHR 3028/4885HSD17B10 2499/4885KDM4E 954/4885

“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.