Butadiene

Butadiene

SCHEMBL2765003

C=CC=C.[Mn].c1cn(C(n2ccc(C34CC5CC(CC(C5)C3)C4)n2)n2ccc(C34CC5CC(CC(C5)C3)C4)n2)nc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GPR55 Q9Y2T6 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
SCHEMBL2767111 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2AHSD11B1
Butadiene SCHEMBL2764888 0.72 KDM4E (0.36) ALDH1A1KDM4EMEN1KMT2AHSD11B1
SCHEMBL5029515 0.70 KDM4E (0.44) ALDH1A1KDM4EMEN1KMT2AHSD11B1
SCHEMBL2765005 0.69 KDM4E (0.33) ALDH1A1KDM4EMEN1KMT2A
Butadiene SCHEMBL2764815 0.65
Butadiene SCHEMBL2767402 0.65 CYP19A1 (0.35) ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL2767113 0.64 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2AHSD11B1
SCHEMBL2766280 0.63 KDM4E (0.38) ALDH1A1KDM4EMEN1KMT2AHSD11B1
SCHEMBL31010376 0.63 KDM4E (0.36) ALDH1A1KDM4EMEN1KMT2AHSD11B1
Butadiene SCHEMBL2766310 0.62 TLR7 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266911-B1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL CO (JP) 2010-04-14 EP disclosed
US-6881802-B2 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-19 US disclosed
US-20030032743-A1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-02-13 US disclosed
EP-1266911-A1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-18 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 (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-20030032743-A1 Catalyst for addition polymerization and process for producing an addition polymer BRAP, MCM4, BOLA2; BOLA2B ALDH1A1 3572/4885KDM4E 2623/4885MEN1 632/4885

“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.