Methane

Methane

SCHEMBL1860130

C.Nc1cccc2ccccc12

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.94
▸ CYP3A4 P08684 4/20 0.94
▸ HPGD P15428 3/20 0.94
▸ TSHR P16473 3/20 0.94
▸ HSD17B10 Q99714 3/20 0.94
▸ KEAP1 Q14145 2/20 0.94
▸ TDP1 Q9NUW8 3/20 0.63
▸ CYP1A2 P05177 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ CYP2A6 P11509 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL4941999 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29413841 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL9029 0.97 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL208695 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Benzene SCHEMBL22289542 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Ammonia Solution, Strong SCHEMBL15485047 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Bromide SCHEMBL4288737 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL7774409 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL7774413 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Water SCHEMBL3981103 0.94 ALDH1A1 (0.94) ALDH1A1CYP3A4HPGDTSHRHSD17B10

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118083969-A Carbon material based on liquid phase deposition and preparation method and application thereof 玖贰伍碳源科技(天津)有限公司 2024-05-28 — — CN disclosed
CN-114401935-B Ion channel antagonists/blockers and uses thereof 上海市东方医院(同济大学附属东方医院) 2024-04-05 — — CN disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 — — US disclosed
CN-114401935-A Ion channel antagonists/blockers and uses thereof 上海市东方医院(同济大学附属东方医院) 2022-04-26 — — CN disclosed
CN-109942435-B Oxidation coupling high-temperature antioxidant solvent-free preparation method 江苏飞亚化学工业有限责任公司 2021-08-20 — — CN disclosed
WO-2021114313-A1 ION CHANNEL ANTAGONISTS/BLOCKERS AND USES THEREOF SHANGHAI EAST HOSPITAL (CN) 2021-06-17 — — WO disclosed
WO-2020206754-A1 SOLVENT-FREE PREPARATION METHOD FOR OXIDATIVE COUPLING HIGH-TEMPERATURE ANTIOXIDANT 江苏飞亚化学工业有限责任公司 2020-10-15 — — WO disclosed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 — — US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 — — EP disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 — — EP disclosed
US-4092483-A Intermediates for steroid total synthesis process utilizing asymmetric induction HOFFMANN-LA ROCHE INC. (US) 1978-05-30 — — US disclosed
US-4052436-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1977-10-04 — — US disclosed
US-4026907-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-05-31 — — US disclosed
US-4018799-A INTERMEDIATES FOR TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-04-19 — — US disclosed
US-4011211-A RING CLOSURE, ACIDS HOFFMANN-LA ROCHE INC. (US) 1977-03-08 — — US disclosed
US-4003949-A 3-KETO-6-(3-ALKOXYPHENYL)-1-HEXENE-6-OL HOFFMANN-LA ROCHE INC. (US) 1977-01-18 — — US disclosed
US-4003919-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-01-18 — — US disclosed
US-3989841-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-11-02 — — US disclosed
US-3947473-A (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES HOFFMAN-LA ROCHE INC. (US) 1976-03-30 — — US disclosed
US-3932519-A 7,7A-Dihydro-4-[2-(3-alkoxyphenyl)-2-hydroxyethyl]-7a-alkyl-1, 5(6H)-indandiones,3,4,8,8a-tetrahydro-5-[2-(3-alkoxyphenyl)-2-hydroxyethyl]-8a-alkyl-1,6(7H)-naphthalenediones and processes for the preparation thereof utilizing asymmetric induction HOFFMANN-LA ROCHE INC. (US) 1976-01-13 — — 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-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof CACNA1F, CACNA1S, CACNA1D ALDH1A1 1001/4885CYP3A4 538/4885HPGD 633/4885

“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.

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