Butane

Butane

SCHEMBL3766698

CCCC.Cl[Ni]Cl.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
ELANE P08246 1/20 0.34
PCSK9 Q8NBP7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CYP19A1 P11511 1/20 0.31
PSIP1 O75475 1/20 0.30

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
Propane SCHEMBL678752 0.93 TP53 (0.36) TP53ELANEPCSK9NPSR1PSIP1
Propane SCHEMBL1231243 0.93 TP53 (0.36) TP53ELANEPCSK9NPSR1PSIP1
Butane SCHEMBL2218261 0.90 TP53 (0.41) TP53PCSK9PSIP1
Butane SCHEMBL3883260 0.90 TP53 (0.41) TP53PCSK9PSIP1
Ethane SCHEMBL679059 0.87 ELANE (0.33) ELANENPSR1
Ethane SCHEMBL5184530 0.87 ELANE (0.33) ELANENPSR1
Butane SCHEMBL27467536 0.87 TP53 (0.39) TP53PCSK9PSIP1
Butane SCHEMBL4314183 0.87 TP53 (0.39) TP53PCSK9PSIP1
Butane SCHEMBL28273422 0.87 TP53 (0.39) TP53PCSK9PSIP1
SCHEMBL28905535 0.87 TSHR (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-12-09 US disclosed
US-20060154107-A1 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 US 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-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME ESR1, EBPL, JUP TP53 1067/4885ELANE 427/4885PCSK9 3031/4885

“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.