SCHEMBL6898379

SCHEMBL6898379

O=C(CCCc1ccccc1O)c1ccc(O)cc1P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
HTT P42858 1/20 0.42
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNA7 P36544 1/20 0.39
IAPP P10997 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
SCHEMBL6403797 0.81 MEN1 (0.48) NPC1RAB9AAKR1B10AKR1B1HTT
SCHEMBL6397688 0.81 HDAC6 (0.46) NPC1RAB9AAKR1B10AKR1B1HTT
SCHEMBL6396968 0.75 MEN1 (0.57) CYP19A1ALDH1A1MAPK1
SCHEMBL6402277 0.75 MEN1 (0.44) AKR1B10AKR1B1CYP19A1
SCHEMBL6396379 0.70 ACHE (0.47) NPC1RAB9AAKR1B10AKR1B1HTT
SCHEMBL6398689 0.70 HDAC6 (0.46) NPC1RAB9AAKR1B10AKR1B1
SCHEMBL7194165 0.69 CYP19A1 (0.64) CYP19A1CHRNA7
SCHEMBL6396371 0.69 ESR1 (0.63) NPC1RAB9AHTTALDH1A1
SCHEMBL6396972 0.69 ESR1 (0.46) NPC1RAB9AHTTALDH1A1MAPK1
SCHEMBL7295307 0.68 HTT (0.60) NPC1RAB9AHTTCYP19A1MAPK1

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-6787528-B2 THERAPY FOR KIDNEY DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-09-07 US disclosed
US-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation PEERCE BRIAN E (US) 2002-09-19 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 (1 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-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation SLC10A2, SLC34A3, SLC34A1 NPC1 292/4885PKM 2885/4885RAB9A 1167/4885

“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.