SCHEMBL222304

SCHEMBL222304

CN1C(C)(C)CC(OC(=O)C(CCCCCCO)(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.36
TSHR P16473 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
BLM P54132 2/20 0.36
ATM Q13315 2/20 0.36
HIF1A Q16665 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX15 P16050 2/20 0.36
GMNN O75496 1/20 0.36
GABBR2 O75899 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL11213179 0.92 GAA (0.35) ALDH1A1TSHRGAAHPGDLMNA
SCHEMBL28578189 0.92 KMT2A (0.36) ALDH1A1TSHRGAAHPGDLMNA
SCHEMBL31364 0.90 GAA (0.36) ALDH1A1TSHRGAAHPGDLMNA
SCHEMBL9184058 0.89 ALDH1A1 (0.41) ALDH1A1TSHRGAAHPGDLMNA
SCHEMBL12933650 0.88 GAA (0.38) ALDH1A1TSHRGAAHPGDLMNA
SCHEMBL24107365 0.87 GAA (0.33) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL220433 0.86 CSF1R (0.33) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL13599592 0.86 GAA (0.36) ALDH1A1TSHRGAAHPGDLMNA
SCHEMBL2741112 0.86 CSF1R (0.32) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL13599655 0.86 GAA (0.39) ALDH1A1TSHRGAAHPGDLMNA

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-8431039-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC. (US) 2013-04-30 US disclosed
US-20120002141-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 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-20120002141-A1 MESOGENIC STABILIZERS BMI1, METTL14, PYM1 ALDH1A1 3066/4885TSHR 3572/4885GAA 4815/4885

“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.