Butadiene

Butadiene

SCHEMBL2767402

C=CC=C.[Mn].c1cn(C(n2ccc(C3CCCCC3)n2)n2ccc(C3CCCCC3)n2)nc1C1CCCCC1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.35
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MIF P14174 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
SCHEMBL2766635 0.84 CYP19A1 (0.37) CYP19A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16434653 0.77 CYP19A1 (0.39) CYP19A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27396462 0.75 NPC1 (0.38) CYP19A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24117825 0.71 NPC1 (0.38) CYP19A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30730269 0.68 KDM4E (0.35) CYP19A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9383085 0.67 DDB1 (0.45) CYP19A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19120962 0.67 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL11826416 0.67 PSMB8 (0.37) CYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL2767405 0.66 NPC1 (0.30) NPC1RAB9ASMN1; SMN2LMNATP53
Butadiene SCHEMBL2764815 0.66

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 CYP19A1 622/4885NPC1 3681/4885RAB9A 3554/4885

“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.