SCHEMBL25514033

SCHEMBL25514033

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)c4cc(-c5cccc6ccccc56)ccc34)c3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 2/20 0.36
MCL1 Q07820 2/20 0.36
ACMSD Q8TDX5 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PPARG P37231 5/20 0.34
PPARA Q07869 5/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PPARD Q03181 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TNF P01375 1/20 0.32
FLT3 P36888 1/20 0.32
BMX P51813 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL26222089 0.99 MCL1 (0.36) NTSR1MCL1ACMSDCA12CA1
SCHEMBL19863137 0.91 FLT3 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL19863144 0.91 KDM4E (0.35) CYP2C9CYP2C19CYP1A2
SCHEMBL21453596 0.85 FLT3 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL23775701 0.85 CA12 (0.35) NTSR1CA12CA1CA2CA9
SCHEMBL21453589 0.84 CA12 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL22345763 0.84 MCL1 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL29770877 0.84 MCL1 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL23702391 0.84 MCL1 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL29770868 0.84 MCL1 (0.47) MCL1ACMSDCA12CA1CA2

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
US-20230271901-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION LG CHEM, LTD. (KR) 2023-08-31 US disclosed
US-20230271901-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION LG CHEM, LTD. (KR) 2023-08-31 US disclosed
EP-4177238-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED COMPOSITION Lg Chem, Ltd. (KR) 2023-05-10 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 (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-20230271901-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION AHR, HDHD5, HPD NTSR1 3354/4885MCL1 3098/4885ACMSD 297/4885

“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.