SCHEMBL13847953

SCHEMBL13847953

CCOP(=O)(CC(=O)Oc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C)OCC

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.66
▸ ALOX15 P16050 4/20 0.49
▸ HPN P05981 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.49
▸ HMGCR P04035 2/20 0.43
▸ NR1I2 O75469 1/20 0.43

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
SCHEMBL13847954 0.85 VCAM1 (0.72) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8212308 0.82 VCAM1 (0.80) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL6054982 0.81 VCAM1 (0.92) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042606 0.80 VCAM1 (0.81) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8213444 0.79 VCAM1 (0.78) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042604 0.78 VCAM1 (0.81) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8191857 0.78 VCAM1 (0.79) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL13847955 0.77 VCAM1 (0.60) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12012989 0.77 VCAM1 (0.83) VCAM1ALOX15HPNMAPTSIRT5
Succinobucol SCHEMBL347492 0.77 VCAM1 (1.00) VCAM1ALOX15HPNMAPTSIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 — — US disclosed
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 — — US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 — — US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 — — 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-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC VCAM1 3502/4885ALOX15 1530/4885HPN 533/4885

“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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