SCHEMBL20150065

SCHEMBL20150065

CC(C)(C)Cc1ccc(C(F)(F)F)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
PDE2A O00408 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
POLQ O75417 8/20 0.38
CES2 O00748 2/20 0.38
IDO1 P14902 2/20 0.38
DAO P14920 2/20 0.37
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL13644756 0.91 POLQ (0.46) KIF11PDE2ACYP3A4CYP2D6POLQ
SCHEMBL25530518 0.85 CYP1A2 (0.41) KIF11CYP2D6POLQCES2IDO1
SCHEMBL14275212 0.83 CES2 (0.43) KIF11PDE2ACYP3A4CYP2D6POLQ
SCHEMBL102128 0.83 CES2 (0.43) KIF11PDE2ACYP3A4CYP2D6POLQ
SCHEMBL19725441 0.81 DAO (0.45) KIF11PDE2AIDO1DAOTSHR
SCHEMBL19170782 0.80 KIF11 (0.47) KIF11PDE2ACYP3A4CYP2D6CES2
SCHEMBL2600028 0.79 IDO1 (0.54) KIF11PDE2APOLQIDO1DAO
SCHEMBL19224292 0.79 CYP1A2 (0.42) KIF11CYP3A4CYP2D6POLQTSHR
SCHEMBL8220447 0.78 PDE2A (0.49) KIF11PDE2ACYP3A4CYP2D6POLQ
SCHEMBL8225339 0.78 CES2 (0.48) KIF11PDE2ACYP3A4CYP2D6POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981930-B1 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-9981930-B1 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20180134675-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 US disclosed
US-20180134675-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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-20180134675-A1 MAGL INHIBITORS MAG, MAGI3, MGLL KIF11 721/4885PDE2A 316/4885CYP3A4 4468/4885

“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.