SCHEMBL18942104

SCHEMBL18942104

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ HPGD P15428 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ AR P10275 1/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PLD1 Q13393 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL18942284 0.89 HPGD (0.55) SLC6A2SLC6A4HPGDCYP1A2GAA
SCHEMBL18942207 0.88 HPGD (0.51) SLC6A2SLC6A4HPGDGAARAB9A
SCHEMBL18941761 0.88 HPGD (0.51) SLC6A2SLC6A4HPGDGAARAB9A
SCHEMBL18941759 0.85 HDAC3 (0.47) HPGDCYP1A2CYP2C19RAB9ANPC1
SCHEMBL18942350 0.85 OPRM1 (0.47) HPGDATM
SCHEMBL18941691 0.85 HDAC3 (0.47) HPGDRAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL18942259 0.84 OPRM1 (0.46) SLC6A2SLC6A4HPGDRAB9ANPC1
SCHEMBL18942040 0.83 HPGD (0.54) HPGDRAB9ANPC1SMN1; SMN2ATM
SCHEMBL18941755 0.82 NPC1 (0.50) HPGDGAARAB9ANPC1SMN1; SMN2
SCHEMBL18942356 0.81 KDM4E (0.56) HPGDRAB9ANPC1SMN1; SMN2ATM

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 SLC6A2 4632/4885SLC6A4 4685/4885HPGD 190/4885
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF PIGS, HAMP, HTT SLC6A2 4632/4885SLC6A4 4685/4885HPGD 190/4885

“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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