SCHEMBL12377315

SCHEMBL12377315

CC(C)NC(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.73
ALDH1A1 P00352 3/20 0.71
HPGD P15428 1/20 0.71
FPR2 P25090 1/20 0.59
EPHX1 P07099 2/20 0.58
FAAH O00519 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 1/20 0.54
TRPV1 Q8NER1 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53

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
SCHEMBL29687050 0.85 EPHX2 (0.65) EPHX2ALDH1A1HPGDFPR2EPHX1
SCHEMBL11555827 0.85 EPHX2 (1.00) EPHX2ALDH1A1HPGDEPHX1FAAH
SCHEMBL18053768 0.84 EPHX2 (0.73) EPHX2ALDH1A1HPGDFPR2EPHX1
SCHEMBL4116004 0.83 EPHX2 (0.76) EPHX2ALDH1A1HPGDEPHX1FAAH
SCHEMBL12412638 0.82 EPHX2 (0.80) EPHX2ALDH1A1HPGDEPHX1FAAH
SCHEMBL13449739 0.81 CA12 (0.70) EPHX2ALDH1A1FPR2RAB9AKMT2A
SCHEMBL12584976 0.81 EPHX2 (0.83) EPHX2ALDH1A1HPGDEPHX1FAAH
SCHEMBL171565 0.81 EPHX2 (0.67) EPHX2ALDH1A1HPGDFAAHMAPT
SCHEMBL13754451 0.80 RAB9A (0.72) EPHX2HPGDFPR2EPHX1NPC1
SCHEMBL13713061 0.79 EPHX2 (0.75) EPHX2ALDH1A1HPGDEPHX1FAAH

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
WO-2018099952-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS ONCOTYROL CENTER FOR PERSONALIZED CANCER MEDICINE GMBH (AT) 2018-06-07 WO disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 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-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 EPHX2 4199/4885ALDH1A1 1301/4885HPGD 3024/4885

“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.