SCHEMBL8466348

SCHEMBL8466348

OCCOC1CCC(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.49
HCRTR2 O43614 8/20 0.41
SIGMAR1 Q99720 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
ESR2 Q92731 1/20 0.39

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
SCHEMBL19381000 1.00 SLC18A3 (0.49) SLC18A3HCRTR2SIGMAR1AKR1C3AKR1C1
SCHEMBL26941799 0.82 DRD2 (0.49) SLC18A3HCRTR2SIGMAR1
SCHEMBL11590148 0.82 SLC18A3 (0.41) SLC18A3HCRTR2SIGMAR1
SCHEMBL19380876 0.82 SLC18A3 (0.41) SLC18A3HCRTR2SIGMAR1
SCHEMBL12216962 0.81 HRH3 (0.45) ESR2
SCHEMBL18361625 0.79 DRD2 (0.49) SLC18A3HCRTR2SIGMAR1
SCHEMBL11619194 0.79 DRD2 (0.46) HCRTR2
SCHEMBL7080755 0.79 HCRTR2 (0.39) SLC18A3HCRTR2SIGMAR1
SCHEMBL3817201 0.79 OPRM1 (0.49) SIGMAR1
SCHEMBL3817203 0.79 OPRM1 (0.49) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958581-A FORM TEREPHTHALIC ACID, ETHYLENE GLYCOL AND ISOSORBIDE MIXTURES HNA HOLDINGS, INC. (US) 1999-09-28 US claimed
WO-2023039218-A1 MOISTURE ABSORBING FABRIC BLEND MEDTEXTRA FABRIC SOLUTIONS, LLC (US) 2023-03-16 WO disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO disclosed
US-5958581-A FORM TEREPHTHALIC ACID, ETHYLENE GLYCOL AND ISOSORBIDE MIXTURES HNA HOLDINGS, INC. (US) 1999-09-28 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-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 SLC18A3 4123/4885HCRTR2 2550/4885SIGMAR1 3710/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 SLC18A3 4123/4885HCRTR2 2550/4885SIGMAR1 3710/4885

“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.