SCHEMBL14827601

SCHEMBL14827601

COc1ccc(COC(=O)C2C3CC([C@H]2C)[C@@H](C)[C@H]3C)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 1/20 0.53
▸ FABP5 Q01469 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ MIF P14174 1/20 0.41
▸ MMP9 P14780 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP12 P39900 1/20 0.40

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
SCHEMBL14827600 1.00 FABP7 (0.53) FABP7FABP5ALDH1A1HPGDHTT
SCHEMBL10119916 0.92 FABP7 (0.51) FABP7FABP5ALDH1A1HPGDHTT
SCHEMBL6737480 0.92 FABP7 (0.51) FABP7FABP5ALDH1A1HPGDHTT
SCHEMBL6737702 0.92 FABP7 (0.51) FABP7FABP5ALDH1A1HPGDHTT
SCHEMBL13688299 0.92 FABP7 (0.51) FABP7FABP5ALDH1A1HPGDHTT
SCHEMBL10119915 0.92 FABP7 (0.51) FABP7FABP5ALDH1A1HPGDHTT
SCHEMBL10119919 0.91 ALDH1A1 (0.50) FABP7FABP5ALDH1A1HPGDHTT
SCHEMBL6736507 0.91 ALDH1A1 (0.50) FABP7FABP5ALDH1A1HPGDHTT
SCHEMBL6737709 0.87 FABP7 (0.55) FABP7FABP5ALDH1A1HPGDHTT
SCHEMBL10119917 0.87 FABP7 (0.55) FABP7FABP5ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 — — 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 FABP7 4149/4885FABP5 3342/4885ALDH1A1 4017/4885

“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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