SCHEMBL1412418

SCHEMBL1412418

COC(=O)C#CCOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GCK P35557 1/20 0.37
SLC6A3 Q01959 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GRM5 P41594 1/20 0.32
CREBBP Q92793 2/20 0.31
EP300 Q09472 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL1513712 0.86 MEN1 (0.41) MEN1KMT2AGCKSLC6A3ALDH1A1
SCHEMBL1513547 0.86 MEN1 (0.36) MEN1KMT2AGCKALDH1A1NPC1
SCHEMBL1412531 0.85 MEN1 (0.39) MEN1KMT2AGCKNPC1RAB9A
SCHEMBL24167283 0.84 MEN1 (0.44) MEN1KMT2AGCKALDH1A1GRM5
SCHEMBL3763828 0.84 MEN1 (0.39) MEN1KMT2AGCKNPC1RAB9A
SCHEMBL15273799 0.84 MEN1 (0.39) MEN1KMT2AGCKNPC1RAB9A
SCHEMBL14151116 0.82 KMT2A (0.47) MEN1KMT2AGCKALDH1A1NPC1
SCHEMBL7188169 0.81 MEN1 (0.37) MEN1KMT2AGCKGRM5HPGD
SCHEMBL534143 0.79 MEN1 (0.38) MEN1KMT2AGCKGRM5
SCHEMBL3149260 0.79 MEN1 (0.38) MEN1KMT2AGCKGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
WO-2022006386-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2022006386-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
EP-1991542-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS Syngenta Limited (GB) 2008-11-19 EP disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 WO disclosed
EP-0395182-A1 Herbicidal compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-10-31 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 (2 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-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 MEN1 1307/4885KMT2A 2427/4885GCK 1397/4885
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS CYP4X1, RDX, HAX1 MEN1 3930/4885KMT2A 2364/4885GCK 1055/4885

“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.