Methane

Methane

SCHEMBL17138226

C.ClCc1ccc(CCc2ccc(CCl)cc2)cc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
LTA4H P09960 1/20 0.36
P2RY6 Q15077 1/20 0.35
HDAC1 Q13547 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL97582 0.86 CA1 (0.52) GFERESR1ESR2CA2CA1
SCHEMBL2990802 0.85 MAOB (0.56) MAOAMAOBTAAR1HDAC1FFAR1
SCHEMBL16663974 0.85 TAAR1 (0.56) MAOBTAAR1
SCHEMBL30965275 0.84 MAOB (0.44) ESR1CA2CA1MAOAMAOB
SCHEMBL9192375 0.84 CA2 (0.42) GFERESR1ESR2CA2CA1
SCHEMBL12401893 0.84 HTR2A (0.44) GFERESR1ESR2CA2CA1
SCHEMBL2990337 0.83 TAAR1 (0.54) MAOAMAOBTAAR1
SCHEMBL28372503 0.81 ALDH1A1 (0.52) GFERESR1ESR2CA2CA1
SCHEMBL28277706 0.79 CA1 (0.39) GFERESR1ESR2CA2CA1
SCHEMBL8148458 0.79 CA2 (0.59) ESR1ESR2CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284349-A1 EPIDITHIODIKETOPIPERAZINE COMPOUNDS, COMPOSITIONS, AND METHODS GLOBAVIR BIOSCIENCES, INC. 2015-10-08 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-20150284349-A1 EPIDITHIODIKETOPIPERAZINE COMPOUNDS, COMPOSITIONS, AND METHODS EGLN3, HIF1AN, EGLN2 GFER 4364/4885ESR1 571/4885ESR2 82/4885

“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.