SCHEMBL19200596

SCHEMBL19200596

C=C(NCCCC)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.41
ACHE P22303 8/20 0.39
MMP2 P08253 1/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL20322090 0.93 EPHX1 (0.47) EPHX1ZDHHC20ZDHHC2TSHR
SCHEMBL25697792 0.91 EPHX1 (0.50) EPHX1ZDHHC20ZDHHC2
SCHEMBL25881306 0.91 EPHX1 (0.50) EPHX1ZDHHC20ZDHHC2
SCHEMBL22861925 0.91 EPHX1 (0.50) EPHX1ZDHHC20ZDHHC2
SCHEMBL19057654 0.91 EPHX1 (0.50) EPHX1ZDHHC20ZDHHC2
SCHEMBL9290204 0.85
SCHEMBL20334483 0.82 EPHX1 (0.40) EPHX1ZDHHC20ZDHHC2
SCHEMBL12878807 0.82 EPHX1 (0.39) EPHX1ACHEMMP2HTTMEN1
SCHEMBL25697309 0.80 MEN1 (0.37) EPHX1MEN1KMT2A
SCHEMBL25885486 0.80 ALDH1A1 (0.48) EPHX1ZDHHC20ZDHHC2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-09-08 US disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 US disclosed
WO-2017132655-A1 PHOTOCHEMICALLY STABLE, NON-LEACHING, BRIDGED POLYSILSESQUIOXANE BASED SUNSCREENS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-08-03 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 (3 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-20230132715-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX1 1684/4885ACHE 2778/4885MMP2 1393/4885
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX EPHX1 296/4885ACHE 1287/4885MMP2 190/4885
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX EPHX1 296/4885ACHE 1287/4885MMP2 190/4885

“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.