SCHEMBL14224769

SCHEMBL14224769

COC[C@H]1CC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.52
SMYD3 Q9H7B4 2/20 0.52
TP53 P04637 2/20 0.50
FLT3 P36888 2/20 0.49
AKR1C3 P42330 2/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIN1 Q13526 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NPC1 O15118 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
PYGL P06737 1/20 0.46

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
SCHEMBL12669582 0.88 SMYD3 (0.69) MLLT1SMYD3FLT3PYGL
SCHEMBL12101148 0.83 MLLT1 (0.58) MLLT1SMYD3TP53FLT3AKR1C3
SCHEMBL11888208 0.83 MLLT1 (0.72) MLLT1SMYD3TP53FLT3AKR1C3
SCHEMBL17209760 0.82 MLLT1 (0.70) MLLT1SMYD3TP53RAB9APOLB
SCHEMBL11888227 0.82 MLLT1 (0.70) MLLT1SMYD3TP53RAB9APOLB
SCHEMBL17209759 0.82 MLLT1 (0.70) MLLT1SMYD3TP53RAB9APOLB
SCHEMBL12101141 0.82 TP53 (0.52) MLLT1SMYD3TP53FLT3AKR1C3
SCHEMBL14224757 0.82 SMYD3 (0.49) MLLT1SMYD3TP53FLT3AKR1C3
SCHEMBL12101152 0.81 MLLT1 (0.56) MLLT1SMYD3TP53FLT3AKR1C3
SCHEMBL11888306 0.79 MLLT1 (0.53) MLLT1SMYD3TP53FLT3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 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-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R MLLT1 755/4885SMYD3 3513/4885TP53 4113/4885

“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.