SCHEMBL910596

SCHEMBL910596

CCCOc1cccc(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.58
MAOB P27338 7/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 1/20 0.54
TLR4 O00206 1/20 0.54
TLR2 O60603 1/20 0.54
ERN1 O75460 1/20 0.49
SRC P12931 1/20 0.49
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL29955687 1.00 MAOA (0.58) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL18002640 0.94 TLR4 (0.56) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL510596 0.91 TLR4 (0.64) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30409096 0.91 TLR4 (0.64) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2205487 0.90 TLR4 (0.58) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5543437 0.89 MAOA (0.66) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8863665 0.88 TSHR (0.59) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL10497968 0.88 TSHR (0.59) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL7756955 0.88 TSHR (0.59) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL3904389 0.88 TSHR (0.59) MAOAMAOBNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4587669-B2 2010-11-24 JP claimed
JP-2005509662-A 2005-04-14 JP claimed
EP-1443915-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES Cutanix Corporation (US) 2004-08-11 EP claimed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US claimed
WO-2003043621-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES CUTANIX CORPORATION (US) 2003-05-30 WO claimed
EP-4737508-A1 CHEMICAL RECYCLING METHOD FOR MIXED WASTE POLYMERS Korea Research Institute of Chemical Technology (KR) 2026-05-06 EP disclosed
EP-4720030-A1 ASYMMETRIC PHENYLALKYLAMINES Alexander Shulgin Research Institute, Inc. (US) 2026-04-08 EP disclosed
WO-2025029018-A1 CHEMICAL RECYCLING METHOD FOR MIXED WASTE POLYMERS 한국화학연구원 2025-02-06 WO disclosed
WO-2024243599-A1 ASYMMETRIC PHENYLALKYLAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2024-11-28 WO disclosed
CN-117304205-A Benzimidazole ternary fused ring compound, pharmaceutically acceptable salt thereof and application thereof 中国科学院广州生物医药与健康研究院 2023-12-29 CN disclosed
US-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2020-07-07 US disclosed
EP-2861570-B1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES UNIV RUTGERS (US) 2018-07-18 EP disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
US-4694017-A 2-amido 3(oxindol-3-yl)propionic acids having antiulcer activity OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-15 US disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
EP-0126635-A2 Novel oxindole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-28 EP disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US disclosed
US-4174351-A Separation of dissimilar amines UOP INC. (US) 1979-11-13 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 (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-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 MAOA 56/4885MAOB 120/4885NPC1 2414/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 MAOA 56/4885MAOB 120/4885NPC1 2414/4885

“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.