SCHEMBL3949802

SCHEMBL3949802

CC(C)(C)c1cc(CC(=O)OCCSCCOC(=O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
BLM P54132 2/20 0.42
ATM Q13315 2/20 0.42
HIF1A Q16665 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 4/20 0.41
LMNA P02545 2/20 0.41
VCAM1 P19320 5/20 0.41
GMNN O75496 1/20 0.41
GABBR2 O75899 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL236155 0.90 KMT2A (0.38) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL237359 0.90 KMT2A (0.38) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL206249 0.89 GAA (0.50) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL10689107 0.87 HSPA5 (0.36) ALDH1A1TSHRKMT2AMEN1CYP1A2
Ethylene SCHEMBL3947801 0.86 GAA (0.48) ALDH1A1TSHRKMT2AMEN1CYP1A2
Ethylene SCHEMBL3949824 0.86 GAA (0.48) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL30165 0.86 GAA (0.52) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL11612616 0.85 GAA (0.47) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL6926511 0.85 ALDH1A1 (0.44) ALDH1A1TSHRKMT2AMEN1CYP1A2
SCHEMBL17014959 0.85 GAA (0.47) ALDH1A1TSHRKMT2AMEN1CYP1A2

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 6 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
US-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS CYTEC TECHNOLOGY CORP. 2009-08-13 US disclosed
EP-2035470-A1 THERMOPLASTIC RESIN COMPOSITIONS SUITABLE FOR USE IN TRANSPARENT LAMINATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-18 EP disclosed
WO-2007149082-A1 THERMOPLASTIC RESIN COMPOSITIONS SUITABLE FOR USE IN TRANSPARENT LAMINATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-27 WO disclosed
US-20070289693-A1 Thermoplastic resin compositions suitable for use in transparent laminates E. I. DU PONT DE NEMOURS AND COMPANY 2007-12-20 US disclosed
US-4923909-A THIXOTROPIC SLURRYING; PIPES; STABILITY; THERMOPLASTIC OR THERMOSETTING RESIN; LIQUID CARRIER THE B. F. GOODRICH COMPANY (US) 1990-05-08 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 ALDH1A1 1213/4885TSHR 4633/4885KMT2A 4652/4885

“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.