Methane

Methane

SCHEMBL5014377

C.Nc1ccc2ccccc2n1

nearest known ligand 0.95

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.95
NCF1 P14598 3/20 0.95
NOS2 P35228 1/20 0.95
PLAU P00749 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL38775 0.97 BACE1 (1.00) BACE1NCF1NOS2PLAUMEN1
SCHEMBL29374605 0.97 BACE1 (1.00) BACE1NCF1NOS2PLAUMEN1
SCHEMBL30834682 0.95 BACE1 (0.95) BACE1NCF1NOS2PLAUMEN1
Hydrochloric Acid SCHEMBL29933599 0.95 BACE1 (0.95) BACE1NCF1NOS2PLAUMEN1
SCHEMBL28765691 0.95 BACE1 (0.95) BACE1NCF1NOS2PLAUMEN1
Iodide SCHEMBL14672413 0.95 BACE1 (0.95) BACE1NCF1NOS2PLAUMEN1
Hydrochloric Acid SCHEMBL10690117 0.95 BACE1 (0.95) BACE1NCF1NOS2PLAUMEN1
SCHEMBL31425238 0.95 BACE1 (0.95) BACE1NCF1NOS2PLAUMEN1
Hydrochloric Acid SCHEMBL7041585 0.95 BACE1 (0.95) BACE1NCF1NOS2PLAUMEN1
SCHEMBL28580629 0.95 BACE1 (0.95) BACE1NCF1NOS2PLAUMEN1

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-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
CN-101107000-A 3,6-bicyclolides ENANTA PHARM INC (US) 2008-01-16 CN disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 BACE1 1181/4885NCF1 2462/4885NOS2 1614/4885

“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.