Butadiene

Butadiene

SCHEMBL2764841

C=CC=C.Cc1ccc(-c2ccn(C(n3ccc(-c4ccc(C)cc4)n3)n3ccc(-c4ccc(C)cc4)n3)n2)cc1.[Mn]

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.37
MAPT P10636 7/20 0.37
MEN1 O00255 7/20 0.37
TP53 P04637 5/20 0.37
NPC1 O15118 11/20 0.37
RAB9A P51151 11/20 0.37
SMN1; SMN2 Q16637 10/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KEAP1 Q14145 1/20 0.35
ALDH1A1 P00352 8/20 0.35
LMNA P02545 4/20 0.35
STAT1 P42224 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 6/20 0.33
GAA P10253 3/20 0.33
MITF O75030 2/20 0.33

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
SCHEMBL2454726 0.90 NPC1 (0.43) KMT2AMAPTMEN1TP53NPC1
SCHEMBL2765018 0.83 SMN1; SMN2 (0.39) KMT2AMAPTMEN1TP53NPC1
SCHEMBL2609419 0.78 DYRK1A (0.45) KMT2AMAPTMEN1TP53NPC1
Butadiene SCHEMBL2764453 0.73 SMN1; SMN2 (0.42) KMT2AMAPTMEN1TP53NPC1
Butadiene SCHEMBL2766034 0.71
SCHEMBL2453561 0.71 KMT2A (0.57) KMT2AMAPTMEN1NPC1RAB9A
Butadiene SCHEMBL2764815 0.70
Butadiene SCHEMBL2766826 0.69
SCHEMBL12319225 0.69 KEAP1 (0.67) KMT2AMAPTMEN1TP53NPC1
Butadiene SCHEMBL2766098 0.68 CYP19A1 (0.34)

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 KMT2A 1204/4885MAPT 749/4885MEN1 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.