SCHEMBL222636

SCHEMBL222636

O=C(Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1)c1ccc(OCCCCCCCCOC2CCCCO2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
NPY1R P25929 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
HDAC3 O15379 2/20 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
SCHEMBL432328 0.97 KMT2A (0.68) KMT2AMEN1KDM4ESMN1; SMN2HIF1A
SCHEMBL1531771 0.91 MEN1 (0.73) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL29551049 0.90 KMT2A (0.75) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL1926570 0.90 KMT2A (0.63) KMT2AMEN1KDM4ESMN1; SMN2HIF1A
SCHEMBL222127 0.89 MEN1 (0.67) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL1531938 0.88 KMT2A (0.78) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL12768363 0.88 KMT2A (0.78) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL12768693 0.86 MEN1 (0.66) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL223023 0.86 MEN1 (0.71) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL22089857 0.86 MEN1 (0.87) KMT2AMEN1SMN1; SMN2NPC1HTT

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
WO-2013022605-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2013-02-14 WO disclosed
US-8349210-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC. (US) 2013-01-08 US disclosed
US-20120003401-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-20120003401-A1 MESOGENIC STABILIZERS PYM1, BMI1, C1S KMT2A 375/4885MEN1 17/4885KDM4E 720/4885

“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.