SCHEMBL18942040

SCHEMBL18942040

Cc1cccc(C(=O)NC[C@H]2OC[C@@H](CNC(=O)c3ccccc3)[C@@H]2O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ DRD2 P14416 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ POLB P06746 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KCNK3 O14649 1/20 0.45
▸ KCNK9 Q9NPC2 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ GPR139 Q6DWJ6 1/20 0.43
▸ ATM Q13315 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ DRD4 P21917 1/20 0.42

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 0.89 HPGD (0.51) HPGDSMN1; SMN2NPC1RAB9AOPRM1
SCHEMBL18942207 0.89 HPGD (0.51) HPGDSMN1; SMN2NPC1RAB9AOPRM1
SCHEMBL18942284 0.87 HPGD (0.55) HPGDSMN1; SMN2NPC1RAB9AOPRM1
SCHEMBL18942350 0.86 OPRM1 (0.47) HPGDOPRM1OPRK1POLBKCNK3
SCHEMBL18942356 0.86 KDM4E (0.56) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL18941759 0.84 HDAC3 (0.47) HPGDNPC1RAB9AMAPT
SCHEMBL18942088 0.84 GPR139 (0.45) HPGDSMN1; SMN2DRD2NPC1RAB9A
SCHEMBL18941691 0.83 HDAC3 (0.47) HPGDSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18942259 0.83 OPRM1 (0.46) HPGDNPC1RAB9AOPRM1OPRK1
SCHEMBL18942104 0.83 SLC6A2 (0.43) HPGDSMN1; SMN2NPC1RAB9AATM

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 190/4885SMN1; SMN2 4093/4885DRD2 1456/4885
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF PIGS, HAMP, HTT HPGD 190/4885SMN1; SMN2 4093/4885DRD2 1456/4885

“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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