SCHEMBL4457370

SCHEMBL4457370

CC(C)(C)c1cc(Cc2cc(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c(O)c(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.62
CYP2C19 P33261 7/20 0.59
CYP2C9 P11712 6/20 0.59
HIF1A Q16665 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP2D6 P10635 4/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
GAA P10253 2/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
DHFR P00374 1/20 0.42
CYP1A2 P05177 5/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 3/20 0.41
LMNA P02545 2/20 0.40
HSP90AA1 P07900 1/20 0.40
CA2 P00918 2/20 0.39

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
SCHEMBL2786708 0.93 CYP2C19 (0.67) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL11679351 0.91 HSPA5 (0.59) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL30903568 0.91 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL29500375 0.91 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL39554 0.91 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL3685892 0.89 HSPA5 (0.63) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL8055757 0.86 CYP2C19 (0.80) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL7110304 0.83 CYP2C9 (0.52) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL14431780 0.83 HSPA5 (0.61) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL31281158 0.83 HSPA5 (0.83) HSPA5CYP2C19CYP2C9HIF1ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS CYTEC TECHNOLOGY CORP. 2009-08-13 US disclosed
WO-2007120749-A1 STABILIZED SPANDEX COMPOSITIONS CYTEC TECHNOLOGY CORP. (US) 2007-10-25 WO disclosed
US-20070032581-A1 Additive mixtures CIBA CORPORATION 2007-02-08 US disclosed
US-20060293416-A1 Polyester masterbatch composition POLYMERS AUSTRALIA PTY. LIMITED (AU) 2006-12-28 US disclosed
US-4898901-A Long chain N-alkyl-alpha-alkyl nitrones and polyolefin compositions stabilized therewith CIBA-GEIGY CORPORATION (US) 1990-02-06 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-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS SMCHD1, SMC1A, SI HSPA5 163/4885CYP2C19 561/4885CYP2C9 985/4885

“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.