SCHEMBL221305

SCHEMBL221305

Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC4CCCCO4)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
NPC1 O15118 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PRSS1 P07477 2/20 0.43
ACR P10323 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
GPR119 Q8TDV5 2/20 0.40
KDM4E B2RXH2 1/20 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
SCHEMBL13572552 1.00 KMT2A (0.70) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL12768510 1.00 KMT2A (0.70) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL12768363 0.94 KMT2A (0.78) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL1531938 0.94 KMT2A (0.78) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL13531297 0.91 KMT2A (0.70) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL1531771 0.91 MEN1 (0.73) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL12769300 0.90 KMT2A (0.60) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL13572578 0.90 KMT2A (0.60) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL22089857 0.90 MEN1 (0.87) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL22102520 0.90 KMT2A (0.71) KMT2AMEN1NPC1LMNASMN1; SMN2

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 KMT2A 293/4885MEN1 8/4885NPC1 3019/4885

“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.