SCHEMBL4672371

SCHEMBL4672371

CC#CCc1cccc(C(=O)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
CYP4F2 P78329 2/20 0.60
CYP4A11 Q02928 2/20 0.60
SLC7A5 Q01650 1/20 0.54
MRGPRX4 Q96LA9 3/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
HIF1A Q16665 1/20 0.48
FOLH1 Q04609 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.46
PTPRB P23467 1/20 0.45
ABHD6 Q9BV23 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL40546 0.86 CYP4F2 (0.63) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL7276383 0.84 LOXL2 (0.66) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL31044528 0.84 LOXL2 (0.57) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL3932722 0.84 LOXL2 (0.57) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL29539688 0.83 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL40562 0.83 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL21936783 0.83 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL576723 0.82 FOLH1 (0.56) MRGPRX4SMN1; SMN2RAB9AHIF1AFOLH1
SCHEMBL70173 0.80 CYP4F2 (0.83) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL126284 0.80 LOXL2 (0.74) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4

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-1888233-A2 HETEROGENEOUS ALKYNE METATHESIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-02-20 EP disclosed
WO-2006135631-A2 HETEROGENEOUS ALKYNE METATHESIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2006-12-21 WO disclosed
US-20060281938-A1 HETEROGENEOUS ALKYNE METATHESIS ENERGY, UNITED STATES DEPARTMENT OF 2006-12-14 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-20060281938-A1 HETEROGENEOUS ALKYNE METATHESIS SOD1, DNMT1, SCO2 LOXL2 1178/4885CYP4F2 1183/4885CYP4A11 1864/4885

“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.