SCHEMBL514290

SCHEMBL514290

O=CC(O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
CYP1A2 P05177 1/20 0.50
TRPA1 O75762 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
KEAP1 Q14145 1/20 0.46
CPA3 P15088 2/20 0.46
MDM2 Q00987 1/20 0.45
SLC15A1 P46059 2/20 0.44
LAP3 P28838 3/20 0.44
ANPEP P15144 1/20 0.44
CPA1 P15085 1/20 0.44
FOLH1 Q04609 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
SCHEMBL122782 1.00 EPHX1 (0.50) EPHX1CYP1A2TRPA1MEN1KMT2A
SCHEMBL5561130 1.00 EPHX1 (0.50) EPHX1CYP1A2TRPA1MEN1KMT2A
Acetic Acid SCHEMBL27580731 0.94 ALPI (0.52) EPHX1CYP1A2TRPA1MEN1KMT2A
SCHEMBL7980662 0.80 SLC7A5 (0.47) CYP1A2MEN1KMT2ATAAR1SLC7A5
SCHEMBL17183114 0.80 SLC7A5 (0.47) CYP1A2MEN1KMT2ATAAR1SLC7A5
SCHEMBL16414796 0.78 ACE (0.49) CYP1A2TRPA1MEN1KMT2AKEAP1
SCHEMBL2322248 0.78 ACE (0.49) CYP1A2TRPA1MEN1KMT2AKEAP1
SCHEMBL27466706 0.78 ACE (0.49) CYP1A2TRPA1MEN1KMT2AKEAP1
SCHEMBL24320224 0.78 MME (0.44)
SCHEMBL12226226 0.78 TRPA1 (0.46) TRPA1CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217480-A 1,2,3, 4-tetrahydroisoquinoline compound and preparation method and application thereof 南京工业大学 2023-06-06 CN claimed
CN-101558059-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-12-03 CN claimed
US-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION SHAPIRO STANLEY S (US) 2012-02-02 US claimed
JP-4401441-B2 2010-01-20 JP claimed
CN-101558059-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-10-14 CN claimed
EP-1511500-A4 COMBINATION OF ANTI-MUSCARINIC AGENTS AND NON-GLUCOCORTICOID STEROIDS EPIGENESIS PHARMACEUTICALS LLC (US) 2009-04-29 EP claimed
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator SHAPIRO STANLEY S 2008-10-09 US claimed
JP-2006504666-A 2006-02-09 JP claimed
US-6967197-B2 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-22 US claimed
EP-1511500-A2 COMBINATION OF ANTI-MUSCARINIC AGENTS AND NON-GLUCOCORTICOID STEROIDS Epigenesis Pharmaceuticals, Inc. (US) 2005-03-09 EP claimed
EP-0734715-A2 1,3-Butanediol thioglycolate isomer mixture and permanent waving composition comprising same Kao Corporation (JP) 1996-10-02 EP claimed
EP-0734716-A2 Composition for permanent waving of human hair Kao Corporation (JP) 1996-10-02 EP claimed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US claimed
CN-1088912-A The 4-amino-3-hydroxycarboxylic acid derivatives SANDOZ LTD (CH) 1994-07-06 CN claimed
EP-0512270-A2 Cosmetic composition KAO CORPORATION (JP) 1992-11-11 EP claimed
US-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 US claimed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 EP claimed
EP-0015036-B1 PSYCHO-PHARMACOLOGICAL PEPTIDES, PROCESS FOR THEIR PREPARATION AND THERAPEUTICAL COMPOSITIONS CONTAINING THEM AKZO N.V. (NL) 1983-05-04 EP claimed
US-4271152-A FRAGMENTS OF B-LIPOTROPIN AKZO N.V. (NL) 1981-06-02 US claimed
EP-0015036-A1 Psycho-pharmacological peptides, process for their preparation and therapeutical compositions containing them AKZO N.V. (NL) 1980-09-03 EP 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-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION TYR, MC1R, NQO1 EPHX1 1965/4885CYP1A2 270/4885TRPA1 1847/4885
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator MC1R, F2RL1, F2R EPHX1 3230/4885CYP1A2 749/4885TRPA1 677/4885

“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.