SCHEMBL13030044

SCHEMBL13030044

CNCc1cc(C)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PKM P14618 1/20 0.50
▸ TRPA1 O75762 1/20 0.48
▸ MAPT P10636 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ GAA P10253 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ GFER P55789 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX15 P16050 2/20 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
SCHEMBL14020589 0.83 TRPA1 (0.48) AMY1ANPSR1TRPA1MAPTHPGD
SCHEMBL29621432 0.82 AMY1A (0.83) AMY1ANPSR1TRPA1MAPTMEN1
SCHEMBL29402131 0.82 AMY1A (0.83) AMY1ANPSR1TRPA1MAPTMEN1
SCHEMBL50622 0.82 AMY1A (0.83) AMY1ANPSR1TRPA1MAPTMEN1
SCHEMBL2795115 0.82 NPSR1 (0.55) AMY1ANPSR1PKMTRPA1MAPT
SCHEMBL11674343 0.81 EGFR (0.60) PKMMAPTHPGDRECQLTDP1
SCHEMBL23997632 0.80 KDM4E (0.47) AMY1AHSD17B10ALDH1A1KDM4E
Methyl Alcohol SCHEMBL3081581 0.80 AMY1A (0.80) AMY1ANPSR1TRPA1MAPTMEN1
SCHEMBL12809240 0.80 HTR2A (0.47) GAALMNA
SCHEMBL15383498 0.80 AMY1A (0.52) AMY1ANPSR1PKMTRPA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113437341-B Amphoteric ion conduction membrane for flow battery and preparation method thereof 泰山学院 2022-04-12 — — CN claimed
CN-113437341-A Amphoteric ion conduction membrane for flow battery and preparation method thereof 泰山学院 2021-09-24 — — CN claimed
US-20230181494-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER MTI BIOTECH, INC. 2023-06-15 — — US disclosed
CN-113437341-B Amphoteric ion conduction membrane for flow battery and preparation method thereof 泰山学院 2022-04-12 — — CN disclosed
CN-113437341-A Amphoteric ion conduction membrane for flow battery and preparation method thereof 泰山学院 2021-09-24 — — CN disclosed
US-10188627-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2019-01-29 — — US disclosed
US-10188627-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2019-01-29 — — US disclosed
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2017-10-26 — — US disclosed
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2017-10-26 — — US disclosed
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2017-10-26 — — US disclosed
WO-2016057660-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2016-04-14 — — WO disclosed
US-20100278933-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC (US) 2010-11-04 — — US disclosed
US-20080262031-A1 4-Aminoquinoline Derivatives as Antimalarials CTG PHARMA S.R.L. (IT) 2008-10-23 — — US disclosed
US-20080262031-A1 4-Aminoquinoline Derivatives as Antimalarials CTG PHARMA S.R.L. (IT) 2008-10-23 — — 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 (5 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-20100278933-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K2, MAP3K6 AMY1A 4682/4885NPSR1 3788/4885PKM 487/4885
US-10188627-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof PPARG, PPARD, PPARA AMY1A 2903/4885NPSR1 2449/4885PKM 387/4885
US-20230181494-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER CPT1A, AKR7A2, FABP1 AMY1A 306/4885NPSR1 3020/4885PKM 125/4885
US-20080262031-A1 4-Aminoquinoline Derivatives as Antimalarials QTRT1, QTRT2, RECQL AMY1A 4434/4885NPSR1 3865/4885PKM 435/4885
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA AMY1A 2903/4885NPSR1 2449/4885PKM 387/4885

“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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