SCHEMBL18942284

SCHEMBL18942284

O=C(NC[C@@H]1CO[C@H](CNC(=O)c2cccc(F)c2)[C@H]1O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.55
▸ GAA P10253 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ OPRM1 P35372 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KCNK3 O14649 1/20 0.46
▸ ATM Q13315 1/20 0.43
▸ GPR139 Q6DWJ6 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 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 0.90 HPGD (0.51) HPGDGAAOPRM1MEN1KMT2A
SCHEMBL18942207 0.90 HPGD (0.51) HPGDGAAOPRM1MEN1KMT2A
SCHEMBL18942104 0.89 SLC6A2 (0.43) HPGDGAACYP1A2CYP2C9CYP2C19
SCHEMBL18942040 0.87 HPGD (0.54) HPGDOPRM1MEN1KMT2AKCNK3
SCHEMBL18942350 0.87 OPRM1 (0.47) HPGDOPRM1KCNK3ATM
SCHEMBL18941759 0.85 HDAC3 (0.47) HPGDCYP1A2CYP2C19TSHRHDAC1
SCHEMBL18942356 0.84 KDM4E (0.56) HPGDKMT2AATMTSHRHDAC1
SCHEMBL18942088 0.84 GPR139 (0.45) HPGDATMGPR139NAMPTNPC1
SCHEMBL18941691 0.84 HDAC3 (0.47) HPGDMEN1KMT2AHDAC1HDAC6
SCHEMBL18942259 0.84 OPRM1 (0.46) HPGDOPRM1GPR139HDAC1HDAC6

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 190/4885GAA 86/4885CYP1A2 2857/4885
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF PIGS, HAMP, HTT HPGD 190/4885GAA 86/4885CYP1A2 2857/4885

“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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