SCHEMBL27129558

SCHEMBL27129558

CC(CO)OCCOCCOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
NAAA Q02083 1/20 0.44
TRPA1 O75762 1/20 0.41
CA1 P00915 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
LMNA P02545 1/20 0.37
CTSB P07858 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL27032017 1.00 TSHR (0.45) TSHRNAAATRPA1CA1SMN1; SMN2
SCHEMBL27032236 1.00 TSHR (0.45) TSHRNAAATRPA1CA1SMN1; SMN2
SCHEMBL3510081 0.98 TSHR (0.47) TSHRNAAATRPA1CA1SMN1; SMN2
SCHEMBL38655715 0.83 TSHR (0.48) TSHRNAAACA1HTTCA2
SCHEMBL22890912 0.83 TSHR (0.48) TSHRNAAATRPA1CA1SMN1; SMN2
SCHEMBL17525899 0.83 TSHR (0.48) TSHRTRPA1CA1HTTCA2
SCHEMBL2304714 0.83 TSHR (0.48) TSHRTRPA1CA1HTTCA2
SCHEMBL21647504 0.83 TSHR (0.48) TSHRNAAACA1SMN1; SMN2HTT
SCHEMBL1594904 0.83 TSHR (0.48) TSHRNAAACA1SMN1; SMN2HTT
SCHEMBL647500 0.82 TRPA1 (0.48) TSHRTRPA1HTTKMT2ALMNA

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 TSHR 3780/4885NAAA 4004/4885TRPA1 4387/4885

“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.