Butane

Butane

SCHEMBL3100731

CCCC.O=C(O)c1ccc(C(=O)OO)cc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.51
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
PLA2G4B P0C869 2/20 0.47
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RARB P10826 4/20 0.46
LMNA P02545 1/20 0.46
SRD5A2 P31213 1/20 0.44

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
SCHEMBL1286652 0.89 TSHR (0.63) ALDH1A1TP53TSHRBCL2L1BAD
SCHEMBL27500596 0.87 TSHR (0.60) ALDH1A1TP53TSHRBCL2L1BAD
Ammonia Solution, Strong SCHEMBL28659890 0.87 TSHR (0.60) ALDH1A1TP53TSHRBCL2L1BAD
Butane SCHEMBL27396437 0.85 LMNA (0.62) ALDH1A1MAPTTP53TSHRSMN1; SMN2
Ethylene SCHEMBL5009683 0.85 TSHR (0.57) ALDH1A1TP53TSHRBCL2L1BAD
Terephthalic Acid SCHEMBL1482407 0.84 TSHR (0.71) ALDH1A1TP53TSHRRXRARXRB
Butane SCHEMBL29234656 0.84 TDP1 (0.53) ALDH1A1MAPTCA1CA2SMN1; SMN2
SCHEMBL29139554 0.83 BCL2L1 (0.68) TP53TSHRRXRARXRBBCL2L1
Benzoic Acid SCHEMBL9105944 0.80 TSHR (0.67) ALDH1A1MAPTTP53TSHRBCL2L1
Terephthalic Acid SCHEMBL30899317 0.79 TSHR (0.71) ALDH1A1TP53TSHRRXRARXRB

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-7799913-B2 Carbonylbenzoxazine compounds for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2010-09-21 US disclosed
EP-1448537-A4 CARBONYLBENZOXAZINE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMA INC (US) 2005-05-04 EP disclosed
US-20040259871-A1 Carbonylbenzoxazine compounds for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC 2004-12-23 US disclosed
EP-1448537-A2 CARBONYLBENZOXAZINE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045315-A2 CARBONYLBENZOXAZINE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2003-06-05 WO 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-20040259871-A1 Carbonylbenzoxazine compounds for enhancing glutamatergic synaptic responses GAP43, GRIN2B, GRIN2A ALDH1A1 2536/4885MAPT 626/4885TP53 3384/4885

“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.