SCHEMBL9858368

SCHEMBL9858368

OCC1=CC=C[C@H](O)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9858369 1.00 MGAM (0.35) MGAMSICYP3A4
SCHEMBL9858372 1.00 MGAM (0.35) MGAMSICYP3A4
SCHEMBL9114861 0.82
SCHEMBL9143771 0.79
SCHEMBL14390244 0.79
SCHEMBL17036627 0.76
SCHEMBL8767596 0.74 AKR1B1 (0.31)
SCHEMBL14993757 0.71 KEAP1 (0.35)
SCHEMBL4872030 0.68
SCHEMBL172436 0.67

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120231972-A1 Probe Compound for Detecting and Isolating Enzymes and Means and Methods Using the Same INSTITUTE OF CATALYSIS (CSIC) (ES) 2012-09-13 US disclosed
WO-2010105851-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-23 WO disclosed
US-5036009-A Biochemical process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-07-30 US disclosed
US-4508822-A Biochemical process IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-04-02 US disclosed
EP-0076606-A1 Biochemical process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 EP 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-20120231972-A1 Probe Compound for Detecting and Isolating Enzymes and Means and Methods Using the Same SI, GUSB, MPI MGAM 112/4885SI 1/4885CYP3A4 14/4885

“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.