Butane

Butane

SCHEMBL3450306

CCCC.O=C(O)CC(=O)OCl

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
FFAR3 O14843 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ALDH1A1 P00352 3/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 5/20 0.34
PAM P19021 2/20 0.33
AKR1B1 P15121 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
HDAC11 Q96DB2 5/20 0.32

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
Ethane SCHEMBL6211615 0.90 LDHA (0.42) LDHASRRFFAR3MGAMGAA
SCHEMBL9158669 0.89
Butane SCHEMBL6666677 0.79 MGAM (0.50) LDHASRRFFAR3HDAC3HDAC1
Butane SCHEMBL5791252 0.77 LDHA (0.40) LDHASRRFFAR3HDAC3HDAC1
Butane SCHEMBL788832 0.77 MGAM (0.48) LDHASRRFFAR3HDAC3HDAC1
Butane SCHEMBL6979688 0.75 LDHA (0.38) LDHASRRFFAR3HDAC3HDAC1
Butane SCHEMBL2786955 0.75 LDHA (0.38) LDHASRRFFAR3HDAC3HDAC1
Butane SCHEMBL2958108 0.75 LDHA (0.38) LDHASRRFFAR3HDAC3HDAC1
Butane SCHEMBL4659711 0.75 GAA (0.67) LDHASRRALDH1A1MGAMGAA
SCHEMBL3985200 0.74

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
CN-114773404-B High-carboxyl-content lignin dispersing agent, preparation and application thereof in nano pesticide suspending agent 华南理工大学 2023-06-16 CN disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD LDHA 158/4885SRR 2174/4885FFAR3 3572/4885

“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.