SCHEMBL3438878

SCHEMBL3438878

CC(C)(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL5706504 0.83 CETP (0.71) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL30525296 0.82 CETP (0.59) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL10046434 0.82 SMN1; SMN2 (0.58) KDM4EALDH1A1RAB9AMAPTCYP1A2
SCHEMBL12284944 0.82 CETP (0.59) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL3785961 0.80 CETP (0.58) CETPL3MBTL1KDM4ELMNANPSR1
SCHEMBL2087952 0.79 CETP (0.67) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL16500999 0.78 CETP (0.61) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL10046433 0.77 MDM4 (0.58) CETPL3MBTL1LMNANPSR1ALDH1A1
SCHEMBL10046431 0.77 MAPT (0.49) KDM4ELMNANPSR1ALDH1A1RAB9A
SCHEMBL10072798 0.77 CETP (0.54) CETPL3MBTL1KDM4EALOX12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES NATIONAL SCIENCE FOUNDATION 2012-04-26 — — US disclosed
US-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES NATIONAL SCIENCE FOUNDATION 2012-04-26 — — US disclosed
US-20120077990-A1 Alkene Aziridination NATIONAL SCIENCE FOUNDATION 2012-03-29 — — US disclosed
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 — — US disclosed
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 — — 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 (4 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA CETP 2463/4885L3MBTL1 3201/4885KDM4E 3545/4885
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES CYCS, CCNH, CBR3 CETP 3963/4885L3MBTL1 4087/4885KDM4E 3248/4885
US-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES DOHH, AOC1, ESD CETP 4882/4885L3MBTL1 3814/4885KDM4E 694/4885
US-20120077990-A1 Alkene Aziridination AZI2, PPOX, GLI2 CETP 4648/4885L3MBTL1 3523/4885KDM4E 1538/4885

“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.

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