SCHEMBL19319086

SCHEMBL19319086

CC(NC(=O)C(C)(C)C)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX12 P18054 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
CNR2 P34972 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ROCK2 O75116 6/20 0.40
ROCK1 Q13464 6/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL19319111 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EALOX12RAB9AGAA
SCHEMBL19319108 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EALOX12RAB9AGAA
SCHEMBL25375819 0.81 GAA (0.50) GAAMAPKAPK2CNR2MEN1KMT2A
SCHEMBL19658634 0.81 L3MBTL1 (0.50) ALDH1A1GAAMAPKAPK2CNR2MEN1
SCHEMBL4855769 0.80 POLB (0.41) ALDH1A1KDM4EGAACNR2MEN1
SCHEMBL30482179 0.80 CTSK (0.47) ALDH1A1MEN1KMT2AROCK2ROCK1
SCHEMBL19652063 0.79 MEN1 (0.50) ALDH1A1RAB9AGAAMAPKAPK2CNR2
SCHEMBL19318485 0.78 L3MBTL1 (0.43) ALDH1A1KDM4EALOX12RAB9ACNR2
SCHEMBL19318591 0.78 L3MBTL1 (0.43) ALDH1A1KDM4EALOX12RAB9ACNR2
SCHEMBL19318590 0.78 L3MBTL1 (0.43) ALDH1A1KDM4EALOX12RAB9ACNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC ALDH1A1 1148/4885KDM4E 3963/4885ALOX12 3755/4885

“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.