SCHEMBL447346

SCHEMBL447346

COc1cccc(C(=O)OC(=O)c2cccc(OC)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.71
CES1 P23141 1/20 0.71
PARP1 P09874 1/20 0.67
ESR1 P03372 1/20 0.65
ESR2 Q92731 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 2/20 0.59
NPC1 O15118 6/20 0.59
RAB9A P51151 5/20 0.59
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
CASP3 P42574 1/20 0.55

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
SCHEMBL30393680 1.00 CES2 (0.71) CES2CES1PARP1ESR1ESR2
SCHEMBL447347 0.94 CES2 (0.65) CES2CES1PARP1ESR1ESR2
SCHEMBL5279551 0.91 CES2 (0.65) CES2CES1PARP1ESR1ESR2
Methyl 3-Methoxybenzoate SCHEMBL384913 0.88 SMN1; SMN2 (0.73) CES2CES1PARP1ESR1ESR2
Methyl 3-Methoxybenzoate SCHEMBL29702092 0.88 SMN1; SMN2 (0.73) CES2CES1PARP1ESR1ESR2
SCHEMBL23509 0.88 CES2 (0.71) CES2CES1PARP1ESR1ESR2
Hydrochloric Acid SCHEMBL2146146 0.88 PARP1 (0.67) CES2CES1PARP1ESR1ESR2
SCHEMBL28302582 0.88 CES2 (0.61) CES2CES1PARP1ESR1ESR2
SCHEMBL1356540 0.86 PARP1 (0.70) CES2CES1PARP1ESR1ESR2
SCHEMBL11254925 0.85 CES2 (0.62) CES2CES1PARP1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138947-A1 BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE INC (US) 2026-05-21 US disclosed
CN-118382614-A Novel benzyl tryptamine compounds 瑞安神经科学公司 2024-07-23 CN disclosed
WO-2023070228-A1 NOVEL BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE CANADA INC. (CA) 2023-05-04 WO disclosed
US-9290868-B2 Biodegradable nonwoven fabric and fiber product using the same JNC CORPORATION (JP) 2016-03-22 US disclosed
CN-104098524-A 1-m-methoxy benzoyl-3-phenyl-1, 4-dihydro-1,2,4,5-tetrazine and preparation and application thereof UNIV ZHEJIANG TECHNOLOGY 2014-10-15 CN disclosed
EP-2422005-B1 BIODEGRADABLE NONWOVEN FABRIC AND FIBER PRODUCT USING THE SAME JNC CORP (JP) 2013-12-04 EP disclosed
US-20120064789-A1 BIODEGRADABLE NONWOVEN FABRIC AND FIBER PRODUCT USING THE SAME JNC CORPORATION (JP) 2012-03-15 US disclosed
EP-2422005-A1 BIODEGRADABLE NONWOVEN FABRIC AND FIBER PRODUCT USING THE SAME JNC Corporation (JP) 2012-02-29 EP disclosed
WO-2010122806-A1 BIODEGRADABLE NONWOVEN FABRIC AND FIBER PRODUCT USING THE SAME CHISSO CORPORATION (JP) 2010-10-28 WO disclosed
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed
US-5837726-A Antifungal agents derived from aspergillus fumigatus MILLENNIUM PHARMACEUTICALS, INC. (US) 1998-11-17 US disclosed
US-5451585-A GABA=gamma-aminobutyric acid NEUROGEN CORPORATION (US) 1995-09-19 US disclosed
US-5312822-A Gamma-aminobutyric acid NEUROGEN CORPORATION (US) 1994-05-17 US disclosed
US-5182290-A Interaction with gamma-aminobutyric acid binding sites NEUROGEN CORPORATION (US) 1993-01-26 US disclosed
US-3970671-A XANTHENE, PRESSURE SENSITIVE KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1976-07-20 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 (1 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-20260138947-A1 BENZYLTRYPTAMINE COMPOUNDS HTR2C, CNR2, HTR3B CES2 136/4885CES1 1038/4885PARP1 1781/4885

“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.