SCHEMBL18942270

SCHEMBL18942270

CC(C)(C)C(=O)NC[C@H]1OC[C@@H](CNC(=O)c2ccccc2)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ PRSS1 P07477 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ CTRB1 P17538 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ ESRRG P62508 1/20 0.36

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
SCHEMBL18941761 0.90 HPGD (0.51) HPGDNPC1RAB9ASMN1; SMN2CTSL
SCHEMBL18942207 0.90 HPGD (0.51) HPGDNPC1RAB9ASMN1; SMN2CTSL
SCHEMBL18941691 0.84 HDAC3 (0.47) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL18942040 0.83 HPGD (0.54) HPGDNPC1RAB9ASMN1; SMN2ATM
SCHEMBL18942223 0.81 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2CTSL
SCHEMBL18942284 0.81 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL18942297 0.81 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2CTSL
SCHEMBL18941759 0.81 HDAC3 (0.47) HPGDNPC1RAB9A
SCHEMBL18942098 0.81 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2CTSL
SCHEMBL18942105 0.81 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023602-B2 Hamamelitannin analogues and uses thereof UNIVERSITEIT GENT (BE) 2018-07-17 — — US disclosed
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF UNIVERSITEIT GENT (BE) 2017-06-08 — — 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 (2 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-10023602-B2 Hamamelitannin analogues and uses thereof PIGS, HAMP, HTT HPGD 190/4885KDM4E 3982/4885PKM 4620/4885
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF PIGS, HAMP, HTT HPGD 190/4885KDM4E 3982/4885PKM 4620/4885

“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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