Butane

Butane

SCHEMBL3685210

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

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
PCSK9 Q8NBP7 1/20 0.33
CYP19A1 P11511 1/20 0.31
ELANE P08246 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
Butane SCHEMBL27915563 1.00 TP53 (0.35) TP53PCSK9CYP19A1ELANEPSIP1
Propane SCHEMBL27456598 0.93 TP53 (0.36) TP53PCSK9ELANEPSIP1
Propane SCHEMBL3691305 0.93 TP53 (0.36) TP53PCSK9ELANEPSIP1
Butane SCHEMBL3883260 0.90 TP53 (0.41) TP53PCSK9PSIP1
Butane SCHEMBL2218261 0.90 TP53 (0.41) TP53PCSK9PSIP1
Butane SCHEMBL28273422 0.87 TP53 (0.39) TP53PCSK9PSIP1
Butane SCHEMBL4314183 0.87 TP53 (0.39) TP53PCSK9PSIP1
Ethane SCHEMBL27915512 0.87 TSHR (0.32)
Ethane SCHEMBL3690594 0.87 TSHR (0.32)
Butane SCHEMBL27467536 0.87 TP53 (0.39) TP53PCSK9PSIP1

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
US-8318995-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-12-09 US disclosed
US-7763761-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-07-27 US disclosed
EP-1749809-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-02-07 EP 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 1067/4885PCSK9 3031/4885CYP19A1 340/4885

“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.