SCHEMBL26340378

SCHEMBL26340378

Cc1ccccc1C1CCC[C@@H](OC(=O)c2ccc(N(C)C)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC18A3 Q16572 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL26340805 0.89 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL26340042 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL26340737 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL26340003 0.72 KDM4E (0.37) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL28966107 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL23352415 0.69 MAPT (0.45) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL19403922 0.69 MAPT (0.45) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL25771217 0.69 DDB1 (0.46) ALDH1A1KDM4EHPGDMAPTDDB1
SCHEMBL23005309 0.69 DDB1 (0.46) ALDH1A1KDM4EHPGDMAPTDDB1
SCHEMBL27063112 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTRAB9A

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-20230303481-A1 LONG-ACTING LOW-ADDICTION HNK DERIVATIVE AND PREPARATION METHOD THEREFOR SHENZHEN RUIJIAN BIOTECHNOLOGY CO., LTD (CN) 2023-09-28 — — 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-20230303481-A1 LONG-ACTING LOW-ADDICTION HNK DERIVATIVE AND PREPARATION METHOD THEREFOR OPRK1, OPRL1, NTRK1 ALDH1A1 3380/4885KDM4E 3375/4885HPGD 1125/4885

“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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