SCHEMBL12384258

SCHEMBL12384258

CC(C)[C@@H]1CCCN(C(=O)CC(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
JAK3 P52333 2/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.36
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR2 O43614 1/20 0.34
KDM5A P29375 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL19997587 1.00 JAK1 (0.40) JAK1ALDH1A1LMNAJAK3JAK2
SCHEMBL12384822 0.81 EPHX2 (0.44) ALDH1A1LMNAMEN1POLBMAPT
SCHEMBL24844030 0.81 ALDH1A1 (0.44) JAK1ALDH1A1LMNAJAK3JAK2
SCHEMBL15827186 0.81 EPHX2 (0.44) ALDH1A1LMNAMEN1POLBMAPT
SCHEMBL19249296 0.81 EPHX2 (0.42) JAK1ALDH1A1JAK3JAK2TYK2
SCHEMBL15014464 0.80 ALDH1A1 (0.63) ALDH1A1LMNAMEN1POLBMAPT
SCHEMBL12384823 0.80 SMN1; SMN2 (0.43) JAK1ALDH1A1LMNAJAK2MEN1
SCHEMBL13411429 0.80 EPHX1 (0.36) EPHX2CPN1CPB2HPGD
SCHEMBL1629419 0.80 ALDH1A1 (0.63) ALDH1A1LMNAMEN1POLBMAPT
SCHEMBL12384528 0.78 NAMPT (0.43) ALDH1A1LMNAMEN1POLBMAPT

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK1 434/4885ALDH1A1 1168/4885LMNA 1043/4885

“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.