SCHEMBL4429077

SCHEMBL4429077

COC1(c2ccc(Cc3ccc(C4(OC)OC4(C)C)cc3)cc2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
LTA4H P09960 1/20 0.35
CA2 P00918 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL4427097 0.87 SLC5A2 (0.41) ALDH1A1LTA4HCA2
SCHEMBL3672322 0.85 LMNA (0.31)
SCHEMBL12535871 0.85 IDO1 (0.44)
SCHEMBL727474 0.74 CYP1A1 (0.35) ALDH1A1
SCHEMBL17265633 0.74 TSHR (0.37) ALDH1A1TSHRTDP1MAPK1CA2
SCHEMBL19315862 0.73
SCHEMBL1553584 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL27884 0.58 LTA4H (0.81) ALDH1A1CYP3A4TSHRLTA4HCA2
SCHEMBL11310162 0.58 ESR1 (0.48) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL8020885 0.58 ESR1 (0.48) ALDH1A1CYP3A4TSHRTDP1MAPK1

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 ALDH1A1 7/4885CYP3A4 72/4885TSHR 4191/4885

“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.