SCHEMBL224330

SCHEMBL224330

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
LMNA P02545 3/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 4/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
PRSS1 P07477 2/20 0.51
ACR P10323 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL13572556 1.00 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8638855 1.00 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA
SCHEMBL221502 1.00 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA
SCHEMBL21185826 0.94 NPC1 (0.62) NPC1LMNANFKB1NFKB2RELA
SCHEMBL18635918 0.94 NPC1 (0.62) NPC1LMNANFKB1NFKB2RELA
SCHEMBL18175994 0.92 LMNA (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL21185914 0.92 NPC1 (0.61) NPC1LMNANFKB1NFKB2RELA
SCHEMBL1531829 0.92 LMNA (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL26418651 0.92 LMNA (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL26418649 0.92 LMNA (0.60) NPC1LMNANFKB1NFKB2RELA

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 NPC1 3019/4885LMNA 650/4885NFKB1 3198/4885

“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.