Butane

Butane

SCHEMBL4824910

CCCC.O=[PH](O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
SCN1A P35498 3/20 0.37
SCN2A Q99250 3/20 0.37
SCN3A Q9NY46 3/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL767298 0.90 ESR1 (0.40) POLBLMNACYP2D6KMT2AMAPK1
Butane SCHEMBL23346235 0.84 POLB (0.45) POLBLMNACHRM2CHRM1TSHR
Butane SCHEMBL247698 0.84 FFAR1 (0.42) POLBLMNAKMT2AMEN1
Butane SCHEMBL4262589 0.82 CYP1A2 (0.37) POLBCYP1A2CHRM2ADRA2ACHRM1
Butane SCHEMBL8723612 0.81 POLB (0.40) POLBALDH1A1KMT2AMEN1L3MBTL1
Butane SCHEMBL8718621 0.79 L3MBTL1 (0.47) CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL28354553 0.78 MEN1 (0.37) LMNAHTTALDH1A1CYP1A2KMT2A
SCHEMBL28980079 0.78 LMNA (0.44) POLBLMNAKDM4EALDH1A1KMT2A
SCHEMBL15898694 0.76 POLB (0.43) POLBLMNAKDM4EALDH1A1
SCHEMBL2819632 0.75 HCAR2 (0.44) POLBLMNAKDM4EALDH1A1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445877-B2 Charge transport materials having a central disulfane linkage SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-11-04 US disclosed
US-7326506-B2 Bridged charge transport materials having a central sulfur atom linkage SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-02-05 US disclosed
EP-1600821-B1 Bridged charge transport materials having a central sulfur atom linkage SAMSUNG ELECTRONICS CO LTD (KR) 2007-02-28 EP disclosed
US-20050277038-A1 Charge transport materials having a central disulfane linkage S-PRINTING SOLUTION CO., LTD. (KR) 2005-12-15 US disclosed
US-20050266329-A1 Bridged charge transport materials having a central sulfur atom linkage S-PRINTING SOLUTION CO., LTD. (KR) 2005-12-01 US disclosed
EP-1600821-A1 Bridged charge transport materials having a central sulfur atom linkage Samsung Electronics Co., Ltd. (KR) 2005-11-30 EP disclosed
US-6150065-A 1-(P-AMINOPHENYL)-1,4,4-TRIPHENYLBUTADIENE DERIVATIVE CHARGE TRANSFER COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-11-21 US disclosed
US-5080990-A Dinaphthyl (olefin-substituted)arylamines; high photosensitivity; durability KONICA CORPORATION (JP) 1992-01-14 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-20050266329-A1 Bridged charge transport materials having a central sulfur atom linkage NR2E3, NR4A2, NR2C2 POLB 3994/4885LMNA 3084/4885HTT 2593/4885

“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.