SCHEMBL21045005

SCHEMBL21045005

C=CCc1[c]ccc(-c2cc[c]c(CC=C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
XDH P47989 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
AKR1B1 P15121 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PPARG P37231 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARD Q03181 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8521841 0.91 PTGS2 (0.35) GABRA1GABRB2KDM4EALDH1A1GAA
SCHEMBL9545554 0.83 CHRNB2 (0.31) XDHGAAMAPTKMT2A
SCHEMBL2161704 0.81 XDH (0.44) GABRA1GABRB2XDHKDM4EMEN1
SCHEMBL3263937 0.79 TP53 (0.32) XDHALDH1A1PPARGPPARD
SCHEMBL5670666 0.79 XDH (0.38) GABRA1GABRB2XDHKDM4EMEN1
SCHEMBL9808624 0.79 PTGDR (0.34) XDHHPGD
SCHEMBL8415107 0.79 XDH (0.31) XDH
SCHEMBL8415124 0.79 XDH (0.31) XDH
SCHEMBL1665760 0.78
SCHEMBL1723783 0.78 NISCH (0.40) KDM4EMEN1ALDH1A1KMT2A

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-3708559-A1 METHODS OF MAKING STABLE AND THERMALLY POLYMERIZABLE VINYL, AMINO OR OLIGOMERIC PHENOXY BENZOCYCLOBUTENE MONOMERS WITH IMPROVED CURING KINETICS Rohm and Haas Electronic Materials LLC (US) 2020-09-16 EP disclosed
EP-3492444-B1 METHODS OF MAKING STABLE AND THERMALLY POLYMERIZABLE VINYL, AMINO OR OLIGOMERIC PHENOXY BENZOCYCLOBUTENE MONOMERS WITH IMPROVED CURING KINETICS ROHM & HAAS ELECT MAT (US) 2020-07-08 EP disclosed
US-20200087429-A1 METHODS OF MAKING STABLE AND THERMALLY POLYMERIZABLE VINYL, AMINO OR OLIGOMERIC PHENOXY BENZOCYCLOBUTENE MONOMERS WITH IMPROVIED CURING KINETICS ROHM & HAAS ELECT MAT (US) 2020-03-19 US disclosed
US-20190169327-A1 METHODS OF MAKING STABLE AND THERMALLY POLYMERIZABLE VINYL, AMINO OR OLIGOMERIC PHENOXY BENZOCYCLOBUTENE MONOMERS WITH IMPROVED CURING KINETICS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2019-06-06 US disclosed
EP-3492444-A1 METHODS OF MAKING STABLE AND THERMALLY POLYMERIZABLE VINYL, AMINO OR OLIGOMERIC PHENOXY BENZOCYCLOBUTENE MONOMERS WITH IMPROVED CURING KINETICS Rohm and Haas Electronic Materials LLC (US) 2019-06-05 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-20200087429-A1 METHODS OF MAKING STABLE AND THERMALLY POLYMERIZABLE VINYL, AMINO OR OLIGOMERIC PHENOXY BENZOCYCLOBUTENE MONOMERS WITH IMPROVIED CURING KINETICS APEH, AADAC, KDM8 GABRA1 547/4885GABRB2 1166/4885XDH 1719/4885
US-20190169327-A1 METHODS OF MAKING STABLE AND THERMALLY POLYMERIZABLE VINYL, AMINO OR OLIGOMERIC PHENOXY BENZOCYCLOBUTENE MONOMERS WITH IMPROVED CURING KINETICS APEH, PAH, KDM8 GABRA1 388/4885GABRB2 719/4885XDH 1754/4885

“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.