SCHEMBL427272

SCHEMBL427272

C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
LMNA P02545 3/20 0.48
TSHR P16473 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ESR1 P03372 1/20 0.48
MAPK1 P28482 1/20 0.48
NR1H2 P55055 1/20 0.48
RNASEL Q05823 1/20 0.48
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
NPC1 O15118 2/20 0.44
CYP3A4 P08684 2/20 0.44
HTT P42858 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 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
SCHEMBL8666203 0.97 THRB (0.50) THRBLMNATSHRCYP1A2CYP2D6
SCHEMBL14370289 0.97 THRB (0.50) THRBLMNATSHRCYP1A2CYP2D6
SCHEMBL17301297 0.97 THRB (0.50) THRBLMNATSHRCYP1A2CYP2D6
SCHEMBL22245659 0.97 THRB (0.50) THRBLMNATSHRCYP1A2CYP2D6
SCHEMBL12510630 0.96 HTT (0.49) THRBLMNATSHRCYP1A2CYP2D6
SCHEMBL12794263 0.96 HTT (0.49) THRBLMNATSHRCYP1A2CYP2D6
SCHEMBL12768610 0.96 HTT (0.49) THRBLMNATSHRCYP1A2CYP2D6
SCHEMBL14280595 0.96 HTT (0.49) THRBLMNATSHRCYP1A2CYP2D6
SCHEMBL223268 0.96 HTT (0.49) THRBLMNATSHRCYP1A2CYP2D6
SCHEMBL18470122 0.95 THRB (0.55) THRBLMNATSHRCYP1A2CYP2D6

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
EP-3088426-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC Corporation (JP) 2016-11-02 EP disclosed
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 THRB 3981/4885LMNA 260/4885TSHR 3714/4885

“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.