SCHEMBL887413

SCHEMBL887413

CC(=O)C(C(C)=O)C(NC(=O)c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 6/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC1 Q13547 1/20 0.43
TP53 P04637 1/20 0.42
SIRT2 Q8IXJ6 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
SCHEMBL14484271 0.80 LMNA (0.64) CYP2C9LMNAGAAKMT2AMEN1
SCHEMBL27697998 0.80 LMNA (0.64) CYP2C9LMNAGAAKMT2AMEN1
SCHEMBL30261133 0.80 LMNA (0.64) CYP2C9LMNAGAAKMT2AMEN1
SCHEMBL887437 0.77 CTSS (0.46) NPC1CYP3A4CYP2C9RAB9ALMNA
SCHEMBL887421 0.77 LMNA (0.65) NPC1CYP3A4CYP2C19LMNAALDH1A1
SCHEMBL13168669 0.77 CASP1 (0.56) LMNAGAAALDH1A1HDAC1
SCHEMBL28865861 0.77 NPC1 (0.51) NPC1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL887423 0.75 PLK1 (0.53) NPC1CYP3A4CYP2C19RAB9ALMNA
SCHEMBL22229700 0.73 ALDH1A1 (0.45) NPC1CYP1A2CYP3A4CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL29494217 0.73 HDAC3 (0.63) CYP2C9LMNAGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 NPC1 4678/4885CYP1A2 287/4885CYP3A4 507/4885

“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.