SCHEMBL6437914

SCHEMBL6437914

O=C(ONC1CCCCC1)[C@H](Br)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX1 P07099 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ANPEP P15144 2/20 0.44
ERAP2 Q6P179 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 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
SCHEMBL5766448 0.79 EPHX2 (0.51) EPHX2ALDH1A1TDP1EPHX1HPGD
SCHEMBL6439424 0.76 AGER (0.42) EPHX2ALDH1A1TDP1MEN1KMT2A
SCHEMBL7798099 0.76 EPHX2 (0.62) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL27571365 0.75 NPC1 (0.47) EPHX2TDP1RAB9A
SCHEMBL8072282 0.73 EPHX2 (0.56) EPHX2ALDH1A1TDP1EPHX1MEN1
SCHEMBL1008399 0.73 POLB (0.54) ALDH1A1MEN1KMT2ARAB9A
Cyclohexylamine SCHEMBL5767389 0.71 ALPI (0.45) EPHX2ALDH1A1TDP1EPHX1MEN1
Cyclohexylamine SCHEMBL6437917 0.71 ALPI (0.45) EPHX2ALDH1A1TDP1EPHX1MEN1
SCHEMBL29069392 0.71 GAA (0.57) EPHX2ALDH1A1
SCHEMBL29069391 0.71 GAA (0.57) EPHX2ALDH1A1

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-20050245764-A1 Process for producing optically active 2-substituted carboxylic acid KANEKA CORPORATION (JP) 2005-11-03 US disclosed
EP-1422215-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-SUBSTITUTED CARBOXYLIC ACID KANEKA CORPORATION (JP) 2004-05-26 EP 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-20050245764-A1 Process for producing optically active 2-substituted carboxylic acid CA2, UACA, ATIC EPHX2 485/4885ALDH1A1 981/4885TDP1 4766/4885

“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.