SCHEMBL18942259

SCHEMBL18942259

O=C(NC[C@@H]1CO[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H]1O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ OPRL1 P41146 1/20 0.45
▸ HPGD P15428 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ GPR139 Q6DWJ6 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL18942207 0.88 HPGD (0.51) OPRM1SLC6A2SLC6A4HPGDNPC1
SCHEMBL18941761 0.88 HPGD (0.51) OPRM1SLC6A2SLC6A4HPGDNPC1
SCHEMBL18942350 0.88 OPRM1 (0.47) OPRM1OPRK1HPGDPOLB
SCHEMBL18941759 0.85 HDAC3 (0.47) HPGDHDAC4HDAC1HDAC7HDAC11
SCHEMBL18942105 0.85 HPGD (0.43) SLC6A2SLC6A4HPGDPOLBNPC1
SCHEMBL18941691 0.85 HDAC3 (0.47) HPGDEPHX2HDAC4HDAC1HDAC7
SCHEMBL18942104 0.84 SLC6A2 (0.43) SLC6A2SLC6A4HPGDHDAC1HDAC8
SCHEMBL18942284 0.84 HPGD (0.55) OPRM1SLC6A2SLC6A4HPGDHDAC1
SCHEMBL18942040 0.83 HPGD (0.54) OPRM1OPRK1HPGDPOLBGPR139
SCHEMBL18941755 0.82 NPC1 (0.50) HPGDPOLBHTTNPC1LMNA

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 OPRM1 3804/4885OPRK1 4287/4885SLC6A2 4632/4885
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF PIGS, HAMP, HTT OPRM1 3804/4885OPRK1 4287/4885SLC6A2 4632/4885

“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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