SCHEMBL25448327

SCHEMBL25448327

CC(C)C(=O)c1ccc(NC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ DBH P09172 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MLYCD O95822 1/20 0.41
▸ SLC2A1 P11166 2/20 0.40
▸ TRPA1 O75762 2/20 0.40
▸ SLC6A3 Q01959 5/20 0.39
▸ CHRNA1 P02708 4/20 0.39
▸ CHRNG P07510 4/20 0.39
▸ CHRNB1 P11230 4/20 0.39
▸ CHRNB2 P17787 4/20 0.39
▸ SLC6A2 P23975 4/20 0.39
▸ CHRNB4 P30926 4/20 0.39
▸ CHRNA3 P32297 4/20 0.39
▸ CHRNA4 P43681 4/20 0.39
▸ CHRND Q07001 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL13537152 0.86 KDM4E (0.40) KDM4EDBHGAARECQLMLYCD
SCHEMBL7901436 0.79 ALDH1A1 (0.47) HTTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL10942931 0.79 MEN1 (0.50) KDM4EDBHGAARECQLMLYCD
SCHEMBL10121174 0.78 KDM4E (0.62) KDM4EDBHGAARECQLHTT
SCHEMBL10294128 0.78 MLYCD (0.57) MLYCDHTTALDH1A1LMNAHPGD
SCHEMBL12883549 0.78 MAPT (0.50) GAAHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL1711131 0.78 EPHX2 (0.55) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12963995 0.78 RECQL (0.48) KDM4EDBHGAARECQLMLYCD
SCHEMBL12403813 0.76 ALDH1A1 (0.50) KDM4ERECQLALDH1A1SMN1; SMN2RAB9A
SCHEMBL10024338 0.76 RXFP1 (0.50) KDM4EDBHGAARECQLMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144203-A1 DRUG CONJUGATE OF ERIBULIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2023-05-11 — — US 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-20230144203-A1 DRUG CONJUGATE OF ERIBULIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE ERLIN1, ERLIN2, EZR KDM4E 3448/4885DBH 3649/4885GAA 1578/4885

“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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