Methane

Methane

SCHEMBL6568809

C.COc1c(CC(=O)O)ccc2ccccc12

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTSD P07339 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
AKR1B1 P15121 1/20 0.43
PTGER4 P35408 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL11739000 0.98 TDP1 (0.57) TDP1CYP1A1CYP1B1KDM4EHPGD
SCHEMBL9504003 0.84 MTNR1A (0.47) TDP1CYP1A1CYP1B1KDM4EHPGD
SCHEMBL11461555 0.84 L3MBTL1 (0.50) TDP1CYP1A1CYP1B1KDM4EHPGD
SCHEMBL9508056 0.83 MTNR1A (0.46) TDP1CYP1A1CYP1B1KDM4EHPGD
SCHEMBL9508062 0.83 MTNR1A (0.46) TDP1CYP1A1CYP1B1KDM4EHPGD
SCHEMBL9375103 0.82 CYP1A2 (0.55) TDP1CYP1A1CYP1B1KDM4EHPGD
SCHEMBL21617919 0.81 HSD17B10 (0.47) TDP1KDM4EALDH1A1GAAHSD17B10
SCHEMBL11107359 0.81 TDP1 (0.51) TDP1KDM4EHPGDALDH1A1GLA
SCHEMBL14064624 0.80 KDM4E (0.46) CYP1A1CYP1B1KDM4EHPGDALDH1A1
SCHEMBL30490817 0.80 KDM4E (0.46) CYP1A1CYP1B1KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380316-A2 Preparation of alpha-methylareneacetic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1990-08-01 EP claimed
EP-1439824-A2 THREE-DIMENSIONAL SUSPENSION PRINTING OF DOSAGE FORMS Therics, Inc. (US) 2004-07-28 EP disclosed
US-6710086-B1 CHEMICALLY MODIFIED PHARMACOLOGICALLY ACTIVE AGENT IN CARRIER; REDUCE THE DAMAGE TO THE GASTROINTESTINAL TRACT MEDINOX, INC. 2004-03-23 US disclosed
WO-2003041690-A2 THREE-DIMENSIONAL SUSPENSION PRINTING OF DOSAGE FORMS THERICS, INC. (US) 2003-05-22 WO disclosed
US-20030087840-A1 Conjugates of dithiocarbamates with pharmacologically active agents and uses therefor MEDINOX, INC. 2003-05-08 US disclosed
US-6407135-B1 NITRIC OXIDE SCAVENGER COVALENTLY BONDED TO NON-STEROIDAL ANTIINFLAMMATORY AGENT OR OTHER DRUG; SIDE EFFECT REDUCTION MEDINOX, INC. 2002-06-18 US disclosed
WO-2001062085-A1 PROTECTED FORMS OF PHARMACOLOGICALLY ACTIVE AGENTS AND USES THEREFOR MEDINOX, INC. (US) 2001-08-30 WO disclosed
US-6274627-B1 ADMINISTERING COMPOUNDS SUCH AS N-METHYL-D-GLUCAMINE DITHIO-CARBAMATE DISULFIDE FOR IN VIVO REDUCTION OF FREE RADICAL LEVELS IN A SUBJECT MEDINOX, INC. 2001-08-14 US disclosed
WO-1996025152-A1 PROCESS OF PREPARING THERAPEUTIC COMPOSITIONS CONTAINING NANOPARTICLES NANOSYSTEMS L.L.C. (US) 1996-08-22 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-20030087840-A1 Conjugates of dithiocarbamates with pharmacologically active agents and uses therefor NOS1, PTGS1, NOS2 TDP1 1133/4885CYP1A1 1740/4885CYP1B1 1134/4885

“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.