SCHEMBL9831

SCHEMBL9831

CNCc1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
PKM P14618 1/20 0.59
CHRM2 P08172 1/20 0.57
LTA4H P09960 1/20 0.56
IDO1 P14902 2/20 0.54
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HTT P42858 1/20 0.52
AGXT P21549 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
Hydrochloric Acid SCHEMBL5057702 0.98 ALDH1A1 (0.57) ALDH1A1PKMCHRM2LTA4HIDO1
SCHEMBL254443 0.94 MAOB (0.55) ALDH1A1PKMCHRM2LTA4HIDO1
Methylene Chloride SCHEMBL28316865 0.94 ALDH1A1 (0.53) ALDH1A1PKMCHRM2LTA4HIDO1
SCHEMBL28674781 0.88 LOXL2 (0.55) ALDH1A1PKMCHRM2LTA4HIDO1
SCHEMBL9587169 0.85 PKM (0.66) ALDH1A1PKMGAACA12CA1
SCHEMBL22168912 0.85 ALDH1A1 (0.53) ALDH1A1PKMCHRM2LTA4HIDO1
SCHEMBL23330034 0.85 CHRM2 (0.61) ALDH1A1PKMCHRM2LTA4HNPC1
SCHEMBL7346729 0.83 ALDH1A1 (0.61) ALDH1A1PKMCHRM2LTA4HIDO1
SCHEMBL121529 0.83 CHRM2 (0.70) ALDH1A1PKMCHRM2IDO1GAA
Hydrochloric Acid SCHEMBL29563580 0.83 ALDH1A1 (0.52) ALDH1A1PKMCHRM2LTA4HIDO1

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 1375 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648766-A1 PI3K INHIBITORS AND METHODS OF MAKING AND USING THE SAME Relay Therapeutics, Inc. (US) 2025-11-19 EP claimed
CN-119081016-B Iron aluminate cement water reducer and preparation method thereof 建筑材料工业技术监督研究中心 2025-02-07 CN claimed
CN-119371674-A Preparation method of donor-acceptor type metal organic framework photocatalyst and application of photocatalytic amine oxide/thioether 长沙理工大学 2025-01-28 CN claimed
CN-119081016-A Iron aluminate cement water reducer and preparation method thereof 建筑材料工业技术监督研究中心 2024-12-06 CN claimed
WO-2024151930-A1 PI3K INHIBITORS AND METHODS OF MAKING AND USING THE SAME RELAY THERAPEUTICS, INC. (US) 2024-07-18 WO claimed
CN-117820255-A Application of catalyst and degradation method of ester substance 上海科技大学 2024-04-05 CN claimed
CN-117164745-A Composite material for microporous membrane, composite ion exchange membrane and application of composite material 国家电投集团氢能科技发展有限公司 2023-12-05 CN claimed
CN-117126311-A Polymer, composite, ion exchange membrane and preparation method and application thereof 国家电投集团氢能科技发展有限公司 2023-11-28 CN claimed
CN-116808842-B Modified microporous membrane, composite ion exchange membrane, and preparation methods and applications thereof 国家电投集团氢能科技发展有限公司 2023-10-27 CN claimed
CN-116808842-A Modified microporous membrane, composite ion exchange membrane, and preparation methods and applications thereof 国家电投集团氢能科技发展有限公司 2023-09-29 CN claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-1673349-A4 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2008-01-23 EP claimed
JP-2007505942-A 2007-03-15 JP claimed
US-20070043043-A1 Benzimidazole derivates: preparation and pharmaceutical applications S*BIO PTE LTD. (SG) 2007-02-22 US claimed
EP-1673349-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-06-28 EP claimed
WO-2005028447-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-03-31 WO claimed
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 US claimed
EP-1377976-A2 OPTICAL DATA CARRIER THAT CONTAINS A MEROCYANINE DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER Bayer Chemicals AG (DE) 2004-01-07 EP claimed
US-20030003396-A1 Optical data carrier comprising a merocyanine dye as light-absorbent compound in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2003-01-02 US claimed
WO-2002080161-A2 OPTICAL DATA CARRIER THAT CONTAINS A MEROCYANINE DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 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 (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-20070043043-A1 Benzimidazole derivates: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC4 ALDH1A1 305/4885PKM 391/4885CHRM2 4641/4885
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus GABBR1, GABBR2, EBNA1BP2 ALDH1A1 1799/4885PKM 2795/4885CHRM2 4351/4885

“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.