SCHEMBL18397751

SCHEMBL18397751

COC(=O)C=C(Oc1ccccc1Br)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 1/20 0.38
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 4/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
NCEH1 Q6PIU2 1/20 0.34
PKM P14618 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18397749 1.00 LY96 (0.38) LY96KDM4EKMT2ATSHRHTT
SCHEMBL18301080 0.84 LY96 (0.40) LY96KDM4EKMT2AHTTHPGD
SCHEMBL18311967 0.84 LY96 (0.40) LY96KDM4EKMT2AHTTHPGD
SCHEMBL19744095 0.84 ATM (0.43) KMT2AHTTHSD17B10NPC1MAPT
SCHEMBL19744209 0.84 ATM (0.43) KMT2AHTTHSD17B10NPC1MAPT
SCHEMBL28268091 0.83 LY96 (0.39) LY96KDM4EKMT2AHTTHPGD
SCHEMBL28269479 0.82 CYP11B1 (0.46) LY96KDM4EKMT2ANPC1RAB9A
SCHEMBL19744001 0.79 MAOB (0.42) KDM4EKMT2ATSHRNPC1RAB9A
SCHEMBL19744201 0.79 MAOB (0.42) KDM4EKMT2ATSHRNPC1RAB9A
SCHEMBL14458708 0.79 KDM4E (0.52) KDM4EKMT2ATSHRHTTHPGD

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
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
EP-3325462-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2018-05-30 EP disclosed
WO-2017015221-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-26 WO 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-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX LY96 1068/4885KDM4E 1498/4885KMT2A 1243/4885

“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.