SCHEMBL4427097

SCHEMBL4427097

COC1(c2ccc(Cc3cccc(C4(OC)OC4(C)C)c3)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 5/20 0.41
LTA4H P09960 3/20 0.35
ALDH1A1 P00352 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CA2 P00918 1/20 0.33
ALOX5 P09917 4/20 0.32
SLC5A1 P13866 1/20 0.31
IDH1 O75874 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL4429077 0.87 ALDH1A1 (0.35) LTA4HALDH1A1CA2
SCHEMBL3685323 0.77 KCNH2 (0.36)
SCHEMBL727037 0.74 MEN1 (0.35) ALDH1A1GAA
SCHEMBL3672322 0.74 LMNA (0.31)
SCHEMBL12535871 0.74 IDO1 (0.44)
SCHEMBL725588 0.69 ACHE (0.36) ALDH1A1
SCHEMBL2400193 0.68 SLC6A4 (0.34)
SCHEMBL2705448 0.68 LPL (0.36)
SCHEMBL17265633 0.65 TSHR (0.37) ALDH1A1CA2
SCHEMBL727474 0.65 CYP1A1 (0.35) ALDH1A1

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
EP-1442005-B1 NOVEL DIFUNCTIONAL PHOTOINITIATORS CIBA HOLDING INC (CH) 2009-03-18 EP disclosed
US-7084183-B2 Difunctional photoinitiators CIBA SPECIALTY CHEMCIALS CORP. (US) 2006-08-01 US disclosed
US-20050004249-A1 Novel disfunctional photoinitiators IGM GROUP B.V. (NL) 2005-01-06 US disclosed
EP-1442005-A2 NOVEL DIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
WO-2003040076-A2 NOVEL DIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-15 WO 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-20050004249-A1 Novel disfunctional photoinitiators ETFA, ETFB, PAH SLC5A2 3477/4885LTA4H 782/4885ALDH1A1 7/4885

“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.