SCHEMBL2521373

SCHEMBL2521373

CC(C)(C)OC(=O)Cc1cc(C(=O)O)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
PKM P14618 1/20 0.39
PTPRC P08575 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PLA2G2D Q9UNK4 1/20 0.37
FOLH1 Q04609 1/20 0.36
MAPT P10636 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL2521654 0.86 MTNR1A (0.50) MTNR1AMTNR1BPTPRCKDM4EALDH1A1
SCHEMBL27893911 0.86 MTNR1A (0.39) MTNR1AMTNR1BPKMPTPRCHTT
SCHEMBL19974304 0.81 MTNR1A (0.50) MTNR1AMTNR1BHTTRAB9AKDM4E
SCHEMBL31092358 0.81 MTNR1A (0.50) MTNR1AMTNR1BHTTRAB9AKDM4E
SCHEMBL23214813 0.79 MTNR1A (0.52) MTNR1AMTNR1BHTTRAB9ATSHR
SCHEMBL4654634 0.78 KDM4E (0.50) MTNR1AMTNR1BHTTKDM4EALDH1A1
SCHEMBL21821473 0.77 FOLH1 (0.42) PTPRCHTTTSHRKDM4EALDH1A1
SCHEMBL31502488 0.77 MTNR1A (0.46) MTNR1AMTNR1BPTPRCKDM4E
SCHEMBL7170439 0.76 MTNR1A (0.51) MTNR1AMTNR1BPKMHTTRAB9A
SCHEMBL1176410 0.76 ALDH1A1 (0.50) PKMHTTRAB9ATSHRKDM4E

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
EP-2556060-A1 SUBSTITUTED 3,5- DIPHENYL-ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES AH USA 42 LLC (US) 2013-02-13 EP disclosed
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 WO disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 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-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES CYP4X1, COL1A1, RDX MTNR1A 594/4885MTNR1B 344/4885PKM 2466/4885

“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.