SCHEMBL4369204

SCHEMBL4369204

COc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP(O)Cl)c(O)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
CA1 P00915 2/20 0.54
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
EGFR P00533 1/20 0.34
VCAM1 P19320 5/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 2/20 0.33
HPN P05981 1/20 0.33
MAPT P10636 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
TP53 P04637 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 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
SCHEMBL7149136 0.93 CA1 (0.49) CA2CA1ALDH1A1GAAALOX15
SCHEMBL17274608 0.84 CA2 (0.67) CA2CA1PTGS2PTGS1EGFR
SCHEMBL240515 0.82 CA2 (0.80) CA2CA1PTGS2PTGS1EGFR
SCHEMBL29602570 0.82 CA2 (0.80) CA2CA1PTGS2PTGS1EGFR
SCHEMBL17285536 0.81 CA1 (0.49) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL9192342 0.81 CA1 (0.52) CA2CA1PTGS2PTGS1EGFR
SCHEMBL17270586 0.78 CA1 (0.47) CA2CA1EGFRVCAM1TNFRSF1A
SCHEMBL13932560 0.78 CA2 (0.59) CA2CA1PTGS2PTGS1EGFR
SCHEMBL16464356 0.78 CA1 (0.54) CA2CA1ALDH1A1GAAALOX15
SCHEMBL17270588 0.77 CA1 (0.57) CA2CA1EGFRVCAM1

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-20150274627-A1 BISPHOSPHITE MIXTURE AND USE THEREOF AS A CATALYST MIXTURE IN HYDROFORMYLATION EVONIK DEGUSSA GMBH (DE) 2015-10-01 US disclosed
US-20090292146-A1 CATALYST PRECURSOR FOR AN Rh COMPLEX CATALYST EVONIK OXENO GMBH (DE) 2009-11-26 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 (2 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-20150274627-A1 BISPHOSPHITE MIXTURE AND USE THEREOF AS A CATALYST MIXTURE IN HYDROFORMYLATION BPGM, PFKFB4, PFKFB3 CA2 428/4885CA1 568/4885PTGS2 3349/4885
US-20090292146-A1 CATALYST PRECURSOR FOR AN Rh COMPLEX CATALYST RFC2, RFC4, RFC5 CA2 2429/4885CA1 2020/4885PTGS2 1824/4885

“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.