Butane

Butane

SCHEMBL6480980

CCCC.Cc1ccccc1CO[PH](=O)O

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
TAAR1 Q96RJ0 1/20 0.40
CTBP2 P56545 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
FFAR1 O14842 2/20 0.37
KDM4E B2RXH2 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
NOTUM Q6P988 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
P2RX7 Q99572 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
SHBG P04278 1/20 0.35

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 SCHEMBL1478710 0.83 IDO1 (0.47) MAOBTAAR1
Butane SCHEMBL9871035 0.79 ATM (0.44) FFAR1HPGD
Butane SCHEMBL22495506 0.78 THRA (0.33) THRATHRBALDH1A1
Butane SCHEMBL1238313 0.77 ALDH1A1 (0.46) MAOBALDH1A1
Butane SCHEMBL11744413 0.76 MAOB (0.49) MAOBHPGDALDH1A1
Butane SCHEMBL8117692 0.76 ALDH1A1 (0.50) HPGDALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL8133092 0.74 TSHR (0.59) KDM4EALDH1A1
SCHEMBL1478718 0.74 IDO1 (0.53) TAAR1KDM4E
SCHEMBL9419827 0.74 IDO1 (0.55) TAAR1HPGDALDH1A1
SCHEMBL5741077 0.73 IDO1 (0.52) TAAR1FFAR1ALDH1A1

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-20050096491-A1 Aromatic methylidene compound, methylstyryl compound for producing the same, production method therefor, and organic electroluminescent element MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-05-05 US disclosed
US-20030224206-A1 Aromatic methylidene compound, methylstyryl compound for producing the same, production method therefor, and organic electroluminescent element MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2003-12-04 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-20050096491-A1 Aromatic methylidene compound, methylstyryl compound for producing the same, production method therefor, and organic electroluminescent element OR51E2, CYP4F11, ACAD11 MAOB 1092/4885TAAR1 1547/4885CTBP2 1526/4885

“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.