SCHEMBL4457970

SCHEMBL4457970

COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TNFRSF1A P19438 2/20 0.38
DHFR P00374 1/20 0.37
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL16502266 0.92 ALDH1A1 (0.42) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL30925599 0.90 CA1 (0.46) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL19019980 0.89 TNFRSF1A (0.46) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL6251712 0.85 TNFRSF1A (0.42) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL14542318 0.84 PTGS2 (0.46) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL1305157 0.84 PTGS2 (0.43) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL1304840 0.84 PTGS2 (0.43) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL21150370 0.83 PTGS2 (0.42) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL459830 0.83 PTGS2 (0.42) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL6248683 0.81 PTGS2 (0.45) PTGS2PTGS1ALDH1A1TDP1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-7569735-B2 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL (JP) 2009-08-04 US disclosed
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL CORPORATION 2008-09-18 US disclosed
EP-1970360-A1 Method for producing alcohols Takasago International Corporation (JP) 2008-09-17 EP disclosed
EP-0300772-B1 Catalyst for polymerization of conjugated diene and process for producing conjugated diene polymer JAPAN SYNTHETIC RUBBER CO LTD (JP) 1994-01-19 EP disclosed
US-4954125-A COORDINATION CATALYST CONTAINING COBALT COMPOUND, ORGANIC PHOSPHINE COMPOUND, AND ORGANOALUMINUM COMPOUND JAPAN SYNTHETIC RUBBER COMPANY, LTD. (JP) 1990-09-04 US disclosed
EP-0300772-A1 Catalyst for polymerization of conjugated diene and process for producing conjugated diene polymer JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-01-25 EP 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-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature LPXN, LIPE, MLX PTGS2 532/4885PTGS1 190/4885ALDH1A1 1512/4885
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SOD1, AS3MT, GLO1 PTGS2 3571/4885PTGS1 3980/4885ALDH1A1 2050/4885

“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.