SCHEMBL24311348

SCHEMBL24311348

Cc1cc(C=O)c(OCCCCC#N)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ PRKDC P78527 1/20 0.36
▸ HPGD P15428 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ EPAS1 Q99814 2/20 0.31
▸ PKM P14618 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
SCHEMBL24311265 0.95 LMNA (0.37) LMNAPRKDCHPGDALDH1A1SMN1; SMN2
SCHEMBL24311262 0.83 LMNA (0.44) LMNAPRKDCHPGDALDH1A1SMN1; SMN2
SCHEMBL12937302 0.82 LMNA (0.46) LMNAPRKDCPOLBKDM4E
SCHEMBL24311177 0.79 LMNA (0.45) LMNAPRKDCHPGDALDH1A1SMN1; SMN2
SCHEMBL24252943 0.76 LMNA (0.67) LMNAPRKDCHPGDALDH1A1SMN1; SMN2
SCHEMBL9417892 0.75 CYP3A4 (0.41) LMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL20540458 0.73 PTGDR2 (0.44) LMNAHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL30617434 0.73 PTGDR2 (0.44) LMNAHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24310966 0.73 GAA (0.37) LMNAL3MBTL1KDM4EHIF1AEPAS1
SCHEMBL9417774 0.73 HTT (0.40) HPGDALDH1A1HTT

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-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2023-10-19 — — US disclosed
US-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2023-10-19 — — US disclosed
WO-2022052926-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 广州再极医药科技有限公司 2022-03-17 — — 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-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF PDCD1, CD274, PDCD1LG2 LMNA 1636/4885PRKDC 3991/4885HPGD 903/4885

“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.

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