SCHEMBL377454

SCHEMBL377454

Cc1cc(=O)oc2cc(S)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
KDM4E B2RXH2 8/20 0.64
HPGD P15428 6/20 0.64
HSD17B10 Q99714 6/20 0.64
CA9 Q16790 6/20 0.64
GLA P06280 5/20 0.64
GAA P10253 5/20 0.64
CA12 O43570 4/20 0.64
CA1 P00915 4/20 0.64
CASP1 P29466 3/20 0.64
CASP7 P55210 3/20 0.64
LMNA P02545 2/20 0.64
AKR1B1 P15121 2/20 0.64
MCL1 Q07820 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
UGT1A1 P22309 1/20 0.64
MAOB P27338 1/20 0.64
KDR P35968 1/20 0.64
HSD17B3 P37058 1/20 0.64

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
SCHEMBL6503693 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10CA9
SCHEMBL3945097 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10CA9
SCHEMBL724134 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10CA9
Hydrochloric Acid SCHEMBL30117164 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10CA9
SCHEMBL6385935 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10CA9
SCHEMBL30424058 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10CA9
SCHEMBL12329693 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10CA9
SCHEMBL13351005 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10CA9
SCHEMBL4795278 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10CA9
SCHEMBL29645144 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535373-B Nut aroma compound, preparation method thereof and nut-flavored coffee aroma base 波顿香料股份有限公司 2025-03-11 CN claimed
CN-117461639-A Application of coumarin compound in preventing and treating citrus yellow dragon disease or killing psyllids 赣南师范大学 2024-01-30 CN claimed
CN-117309840-A Surface-enhanced Raman scattering nano-tag and preparation method and application thereof 武汉市博雅生物有限公司 2023-12-29 CN claimed
CN-114479665-B High-transparency flexible scratch-resistant coating, functional coating and preparation method thereof 四川大学 2023-11-17 CN claimed
CN-116535373-A Nut aroma compound, preparation method thereof and nut-flavored coffee aroma base 波顿香料股份有限公司 2023-08-04 CN claimed
CN-114479665-A High-transparency flexible scratch-resistant coating, functional coating and preparation method thereof 四川大学 2022-05-13 CN claimed
CN-111961206-B Raspberry-shaped functionalized microspheres containing cage-like silsesquioxane and preparation method thereof 四川大学 2021-06-08 CN claimed
CN-111961206-A Raspberry-shaped functionalized microspheres containing cage-like silsesquioxane and preparation method thereof 四川大学 2020-11-20 CN claimed
US-10385099-B2 Cyclic amino acid molecules and methods of preparing the same THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-08-20 US claimed
EP-3523314-A1 CYCLIC DINUCLEOTIDES CONTAINING BENZIMIDAZOLE, METHOD FOR THE PRODUCTION OF SAME, AND USE OF SAME TO ACTIVATE STIMULATOR OF INTERFERON GENES (STING)-DEPENDENT SIGNALING PATHWAYS Biolog Life Science Institute Forschungslabor Und Biochemica-Vertrieb GmbH (DE) 2019-08-14 EP claimed
US-10150160-B2 Universal one-pot and up-scalable synthesis of SERS encoded nanoparticles MEDCOM ADVANCE, S.A. (ES) 2018-12-11 US claimed
EP-3227037-B1 UNIVERSAL ONE-POT AND UP-SCALABLE SYNTHESIS OF SERS ENCODED NANOPARTICLES MEDCOM ADVANCE S A (ES) 2018-03-21 EP claimed
US-20170326638-A1 UNIVERSAL ONE-POT AND UP-SCALABLE SYNTHESIS OF SERS ENCODED NANOPARTICLES MEDCOM ADVANCE, S.A (ES) 2017-11-16 US claimed
EP-3227037-A1 UNIVERSAL ONE-POT AND UP-SCALABLE SYNTHESIS OF SERS ENCODED NANOPARTICLES MEDCOM ADVANCE, S.A. (ES) 2017-10-11 EP claimed
US-20160222062-A1 Cyclic Amino Acid Molecules And Methods Of Preparing The Same ZEALAND PHARMA A/S (DK) 2016-08-04 US claimed
WO-2016086999-A1 UNIVERSAL ONE-POT AND UP-SCALABLE SYNTHESIS OF SERS ENCODED NANOPARTICLES MEDCOM ADVANCE, S.A (ES) 2016-06-09 WO claimed
US-20140113321-A1 IDENTIFICATION OF CELLULOLYTIC MICROORGANISM CONTAMINATION IN FOOD AND OTHER MATERIALS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-04-24 US claimed
WO-2013140210-A1 IDENTIFICATION OF CELLULOLYTIC MICROORGANISM CONTAMINATION IN FOOD AND OTHER MATERIALS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2013-09-26 WO claimed
US-20250289909-A1 FUNCTIONALIZED AND CROSSLINKED POLYMERS PMIDG LLC (US) 2025-09-18 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 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 (2 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-20160222062-A1 Cyclic Amino Acid Molecules And Methods Of Preparing The Same DNPEP, ANPEP, BCAT1 ALDH1A1 2061/4885KDM4E 4419/4885HPGD 957/4885
US-10385099-B2 Cyclic amino acid molecules and methods of preparing the same DNPEP, ANPEP, BCAT1 ALDH1A1 2061/4885KDM4E 4419/4885HPGD 957/4885

“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.