SCHEMBL10072798

SCHEMBL10072798

CCc1c(NC(=O)C(C)(C)C)cccc1NC(=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 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
SCHEMBL999403 0.86 LMNA (0.55) CETPL3MBTL1POLBLMNAALDH1A1
SCHEMBL3774635 0.81 CETP (0.59) CETPL3MBTL1POLBALDH1A1MEN1
SCHEMBL9835326 0.80 LMNA (0.54) CETPPOLBLMNAALDH1A1KDM4E
SCHEMBL5706504 0.80 CETP (0.71) CETPL3MBTL1POLBLMNAALDH1A1
SCHEMBL30525296 0.79 CETP (0.59) CETPL3MBTL1POLBLMNANPSR1
SCHEMBL10072797 0.79 MAPK1 (0.55) POLBALDH1A1KDM4EMEN1RAB9A
SCHEMBL12284944 0.79 CETP (0.59) CETPL3MBTL1POLBLMNANPSR1
SCHEMBL2209111 0.78 ALDH1A1 (0.49) CETPL3MBTL1POLBLMNANPSR1
SCHEMBL9833634 0.78 LMNA (0.55) CETPPOLBLMNAALDH1A1MEN1
SCHEMBL16998375 0.77 TRPV1 (0.52) CETPL3MBTL1POLBLMNANPSR1

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-20120077990-A1 Alkene Aziridination NATIONAL SCIENCE FOUNDATION 2012-03-29 US disclosed
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES NATIONAL SCIENCE FOUNDATION 2011-08-25 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 (2 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-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES CYCS, CCNH, CBR3 CETP 3963/4885L3MBTL1 4087/4885POLB 783/4885
US-20120077990-A1 Alkene Aziridination AZI2, PPOX, GLI2 CETP 4648/4885L3MBTL1 3523/4885POLB 4562/4885

“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.