SCHEMBL27032207

SCHEMBL27032207

C[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCOCCOCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
KIF11 P52732 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 4/20 0.37
TK2 O00142 1/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM3 P20309 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TACR1 P25103 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL27131883 1.00 NAAA (0.38) NAAAKIF11TSHRCA1TK2
SCHEMBL27032078 1.00 NAAA (0.38) NAAAKIF11TSHRCA1TK2
SCHEMBL16826858 0.85 KIF11 (0.41) KIF11TSHRCA1KMT2ATACR1
SCHEMBL27032249 0.85 KIF11 (0.41) KIF11TSHRCA1KMT2ATACR1
SCHEMBL38655715 0.82 TSHR (0.48) NAAATSHRCA1CA2CA7
SCHEMBL4184115 0.81 NAAA (0.38) NAAAKIF11TSHRCA1CA2
SCHEMBL4184119 0.81 NAAA (0.38) NAAAKIF11TSHRCA1CA2
SCHEMBL13671103 0.80 KIF11 (0.53) NAAAKIF11TSHRCA1TK2
SCHEMBL20958106 0.80 KIF11 (0.53) NAAAKIF11TSHRCA1TK2
SCHEMBL20958111 0.80 KIF11 (0.53) NAAAKIF11TSHRCA1TK2

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-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS SERVIER LAB (FR) 2024-07-25 US disclosed
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 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-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, PARK7, PINK1 NAAA 4004/4885KIF11 1526/4885TSHR 3780/4885

“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.