SCHEMBL4124328

SCHEMBL4124328

COc1ccccc1Nc1ccccc1P(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
MAPK10 P53779 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
EGFR P00533 1/20 0.41
MCL1 Q07820 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
SCHEMBL2850176 0.86 ALDH1A1 (0.31) ALDH1A1L3MBTL1KMT2ALMNATP53
SCHEMBL11318865 0.80 CA1 (0.50) MAPTALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3191755 0.80 MAPT (0.69) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL5923798 0.78 MAPT (0.67) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL4138608 0.77 MAPT (0.49) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL12257142 0.75 ALDH1A1 (0.46) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL29558401 0.74 CA1 (0.42) MAPTALDH1A1RAB9AMAPK1KDM4E
SCHEMBL1230393 0.74 CA1 (0.42) MAPTALDH1A1RAB9AMAPK1KDM4E
SCHEMBL4136434 0.71 PTGS2 (0.43) MAPTALDH1A1KMT2AHTT
SCHEMBL28420986 0.71 ALDH1A1 (0.46) MAPTALDH1A1RAB9AMAPK1KDM4E

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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 MAPT 3482/4885ALDH1A1 2127/4885NPC1 1526/4885

“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.