SCHEMBL222324

SCHEMBL222324

CN1C(C)(C)CC(OC(=O)C(CCCCCCOc2ccc(OC(=O)c3ccc(-c4ccc(C(=O)Oc5ccc(OCCCCCCC(Cc6cc(C(C)(C)C)c(O)c(C(C)(C)C)c6)(C(=O)OC6CC(C)(C)N(C)C(C)(C)C6)C(=O)OC6CC(C)(C)N(C)C(C)(C)C6)cc5)cc4)cc3)cc2)(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HRH3 Q9Y5N1 7/20 0.32
KCNH2 Q12809 1/20 0.32
PRSS1 P07477 1/20 0.32
ACR P10323 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.31
RARB P10826 3/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL2741113 0.97 KDM4E (0.34) NPC1LMNASMN1; SMN2NR1H4NFKB1
SCHEMBL222202 0.95 NPC1 (0.33) NPC1LMNASMN1; SMN2NR1H4NFKB1
SCHEMBL220433 0.89 CSF1R (0.33) HRH3CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL2792929 0.88
SCHEMBL223022 0.88 CYP2C9 (0.33) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL223021 0.88 CYP2C9 (0.33) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL2741112 0.88 CSF1R (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL223143 0.88 ATM (0.36)
SCHEMBL223144 0.88 ATM (0.36)
SCHEMBL223193 0.85 SLC2A1 (0.41) NPC1LMNASMN1; 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 NPC1 3019/4885LMNA 650/4885SMN1; SMN2 1111/4885

“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.