SCHEMBL338280

SCHEMBL338280

O=C(O)CC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
MAPK1 P28482 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
TDP1 Q9NUW8 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 1/20 0.53
LMNA P02545 2/20 0.52
HCAR2 Q8TDS4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
PAM P19021 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CDC25B P30305 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL11358902 0.98 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL27712861 0.98 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL5751558 0.98 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Methylamine SCHEMBL6755739 0.94 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Methylamine SCHEMBL6712859 0.93 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Butane SCHEMBL7060678 0.93 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Nitrous Acid SCHEMBL27978420 0.93 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Phenol SCHEMBL27881150 0.93 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL294341 0.91 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL8069055 0.89 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931329-B2 Compositions and methods for treating anxiety-related disorders YAMO PHARMACEUTICALS LLC (US) 2024-03-19 US claimed
US-20230040681-A1 COMPOSITIONS AND METHODS FOR TREATING ANXIETY-RELATED DISORDERS YAMO PHARMACEUTICALS LLC (US) 2023-02-09 US claimed
CN-107913194-B Ultraviolet radiation absorbing polymer composition 强生消费者公司 2022-06-28 CN claimed
CN-110483369-B Method for synthesizing (7S) -5-azaspiro [2.4] heptane-7-radical carbamic acid tert-butyl ester 广州康瑞泰药业有限公司 2020-10-02 CN claimed
US-10375952-B2 Composition containing a cellulose derived capsule with a sunscreen CoLabs International Corporation (US) 2019-08-13 US claimed
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 US claimed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 US claimed
CN-104529994-B A kind of preparation method of the key intermediate of berberine 西南民族大学 2018-05-04 CN claimed
US-20180042828-A1 Composition Containing a Cellulose Derived Capsule With a Sunscreen CoLabs International Corporation (US) 2018-02-15 US claimed
EP-2916814-A1 COMPOSITION CONTAINING A CELLULOSE DERIVED CAPSULE WITH A SUNSCREEN Colabs International Corporation (US) 2015-09-16 EP claimed
CN-1844096-A Preparation of mitiglinide calcium and its quality control method YAN JIE (CN) 2006-10-11 CN claimed
CN-1733740-A Candle wax compositions stabilized with UV absorber-metal combinations CIBA SC HOLDING AG (CH) 2006-02-15 CN claimed
CN-1513025-A Candle wax stabilized with UV absorber-metal composition 西巴特殊化学品控股有限公司 2004-07-14 CN claimed
EP-1399507-A1 CANDLE WAX COMPOSITIONS STABILIZED WITH UV ABSORBER-METAL COMBINATIONS Ciba SC Holding AG (CH) 2004-03-24 EP claimed
US-6683124-B2 YELLOW PIGMENT MIXTURE COMPRISING PIGMENT VIOLET 19 AND A POLYAMIDE CLARIANT FINANCE (BVI) LIMITED (VG) 2004-01-27 US claimed
US-6667403-B2 Containing benzotriazole complex CIBA SPECIALTY CHEMICALS CORPORATION 2003-12-23 US claimed
US-20030192231-A1 Candle wax compositions stabilized with UV absorber-metal combinations WOOD MERVIN (US) 2003-10-16 US claimed
US-20030111641-A1 Fluorescent pigment compositions CLARIANT FINANCE (BVI) LIMITED (VG) 2003-06-19 US claimed
US-20030101640-A1 Candle wax compositions stabilized with UV absorber-metal combinations WOOD MERVIN (US) 2003-06-05 US claimed
WO-2002098968-A1 CANDLE WAX COMPOSITIONS STABILIZED WITH UV ABSORBER-METAL COMBINATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-12-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20180042828-A1 Composition Containing a Cellulose Derived Capsule With a Sunscreen MSH6, TYR, CUTA ALDH1A1 854/4885MAPK1 2217/4885L3MBTL1 4831/4885
US-10375952-B2 Composition containing a cellulose derived capsule with a sunscreen MSH6, TYR, CUTA ALDH1A1 854/4885MAPK1 2217/4885L3MBTL1 4831/4885
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 ALDH1A1 862/4885MAPK1 2940/4885L3MBTL1 2188/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 ALDH1A1 862/4885MAPK1 2940/4885L3MBTL1 2188/4885

“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.