SCHEMBL13148368

SCHEMBL13148368

COc1ccc(C=C(C(=O)OC2CC(C)(C)CC(C)(C)C2)C(=O)OC2CC(C)(C)CC(C)(C)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
F3 P13726 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
SCHEMBL14001979 0.92 ALDH1A1 (0.38) ALDH1A1GAAMEN1HTTKMT2A
SCHEMBL13148281 0.86 KMT2A (0.46) ALDH1A1GAAMEN1HTTKMT2A
SCHEMBL5648710 0.86 GAA (0.46) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL78186 0.85 HTT (0.40) ALDH1A1GAAMEN1HTTKMT2A
SCHEMBL24453525 0.82 HTT (0.38) ALDH1A1GAAMEN1HTTKMT2A
SCHEMBL7193144 0.79 HTT (0.42) ALDH1A1GAAHTTKMT2AKDM4E
SCHEMBL13568624 0.77 ALDH1A1 (0.34) ALDH1A1GAAMEN1HTTKMT2A
SCHEMBL3737768 0.75 ALDH1A1 (0.33) ALDH1A1GAAMEN1HTTKMT2A
SCHEMBL21298584 0.75 HTT (0.37) ALDH1A1GAAMEN1HTTKMT2A
SCHEMBL23071653 0.75 RAB9A (0.35) ALDH1A1GAAMEN1HTTKMT2A

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-20100234494-A1 Reversibly thermochromic compositions CIBA CORPORATION 2010-09-16 US disclosed
US-20100048774-A1 STABILIZER MIXTURES GUGUMUS FRANCOIS 2010-02-25 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-20100234494-A1 Reversibly thermochromic compositions CRY1, REL, CRY2 ALDH1A1 3798/4885GAA 4878/4885MEN1 937/4885

“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.