SCHEMBL4396176

SCHEMBL4396176

C[C@H]1OC(C)(C)O[C@@H]1C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
MC4R P32245 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
CYP2C9 P11712 1/20 0.42
EPHX1 P07099 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL27611795 0.87 TSHR (0.51) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL3783840 0.87 TSHR (0.51) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL3783838 0.87 TSHR (0.51) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL12150033 0.83 TSHR (0.48) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL15937066 0.82 ALDH1A1 (0.54) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL3778104 0.77 LMNA (0.43) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL15325113 0.76 MAPK1 (0.40) CYP2C9
SCHEMBL16639433 0.76 MAPK1 (0.40) CYP2C9
SCHEMBL15325126 0.75 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2KMT2ATDP1
SCHEMBL15326310 0.75 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2KMT2ATDP1

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 6 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
WO-2006038112-A1 USE OF KINASE INHIBITORS TO PROMOTE NEOCHONDROGENESIS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO 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 2499/4885ALDH1A1 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.