SCHEMBL433236

SCHEMBL433236

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 1/20 0.39
NPC1 O15118 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
THRB P10828 1/20 0.39
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL431821 0.98 MEN1 (0.50) MEN1KMT2AHTTNPC1LMNA
SCHEMBL26691388 0.94 KMT2A (0.47) MEN1KMT2AHTTNPC1LMNA
SCHEMBL12768506 0.92 MEN1 (0.64) MEN1KMT2AHTTNPC1LMNA
SCHEMBL433048 0.92 MEN1 (0.64) MEN1KMT2AHTTNPC1LMNA
SCHEMBL13083484 0.92 MEN1 (0.55) MEN1KMT2AHTTNPC1THRB
SCHEMBL21413262 0.90 MEN1 (0.52) MEN1KMT2AHTTNPC1SMN1; SMN2
SCHEMBL26691391 0.90 KMT2A (0.45) MEN1KMT2AHTTNPC1LMNA
SCHEMBL12768466 0.90 MEN1 (0.60) MEN1KMT2AHTTNPC1LMNA
SCHEMBL8605732 0.89 MEN1 (0.52) MEN1KMT2AHTTTHRBCYP3A4
SCHEMBL19497899 0.87 MEN1 (0.46) MEN1KMT2AHTTTHRBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8613868-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC (US) 2013-12-24 US disclosed
WO-2013022610-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2013-02-14 WO disclosed
US-20120021144-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-26 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-20120021144-A1 MESOGENIC STABILIZERS C1S, C5, CCNL2 MEN1 9/4885KMT2A 1363/4885HTT 1333/4885

“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.