Methane

Methane

SCHEMBL7161301

C.O=C(CBr)c1ccccc1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.95
PTPN1 P18031 7/20 0.95
MAPK1 P28482 2/20 0.61
MAPT P10636 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
CES1 P23141 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TRPA1 O75762 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HIF1A Q16665 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
NR4A2 P43354 1/20 0.54
ERCC5 P28715 1/20 0.52

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
SCHEMBL7621 0.97 GSK3B (1.00) GSK3BPTPN1MAPK1MAPTTDP1
SCHEMBL19331717 0.97 GSK3B (1.00) GSK3BPTPN1MAPK1MAPTTDP1
SCHEMBL18849535 0.97 GSK3B (1.00) GSK3BPTPN1MAPK1MAPTTDP1
Hydrochloric Acid SCHEMBL28021184 0.95 GSK3B (0.95) GSK3BPTPN1MAPK1MAPTTDP1
Water SCHEMBL28144749 0.95 GSK3B (0.95) GSK3BPTPN1MAPK1MAPTTDP1
SCHEMBL27822538 0.95 GSK3B (0.95) GSK3BPTPN1MAPK1MAPTTDP1
Hydrogen Sulfide SCHEMBL7496567 0.95 GSK3B (0.95) GSK3BPTPN1MAPK1MAPTTDP1
Bromide SCHEMBL28774450 0.95 GSK3B (0.95) GSK3BPTPN1MAPK1MAPTTDP1
Fluoride SCHEMBL27997580 0.95 GSK3B (0.95) GSK3BPTPN1MAPK1MAPTTDP1
Formaldehyde SCHEMBL11527895 0.93 GSK3B (0.91) GSK3BPTPN1MAPK1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544499-B1 Polysiloxane or silicone resin, a linker, and a molecular hook for treating amino acid based substrates; hair care THE PROCTER & GAMBLE COMPANY 2003-04-08 US disclosed
US-6495125-B2 MAY BE USED IN HAIR CARE, TEXTILE CARE, COSMETICS, ORAL CARE FORMULATIONS, SKIN, NAIL, LAUNDRY, ACNE CARE FORMULATIONS THE PROCTER & GAMBLE COMPANY 2002-12-17 US disclosed
US-20020012639-A1 May be used in hair care, textile care, cosmetics, oral care formulations, skin, nail, laundry, acne care formulations PROCTER & GAMBLE COMPANY, THE 2002-01-31 US disclosed
EP-1143916-A2 TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS THE PROCTER & GAMBLE COMPANY (US) 2001-10-17 EP disclosed
WO-2000040210-A2 TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS THE PROCTER & GAMBLE COMPANY (US) 2000-07-13 WO disclosed
US-4272532-A SEDATIVES RICHARDSON-MERRELL INC. (US) 1981-06-09 US disclosed
US-4054719-A ACRYLIC ESTER, TERTIARY AMINE AMERICAN CYANAMID COMPANY (US) 1977-10-18 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-20020012639-A1 May be used in hair care, textile care, cosmetics, oral care formulations, skin, nail, laundry, acne care formulations SCLY, TST, SRR GSK3B 2720/4885PTPN1 1514/4885MAPK1 1800/4885

“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.