SCHEMBL3098519

SCHEMBL3098519

CC(Cc1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
SLC6A4 P31645 3/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A3 Q01959 2/20 0.62
CYP2D6 P10635 2/20 0.59
CYP3A4 P08684 5/20 0.58
NPSR1 Q6W5P4 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.54
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL3691129 1.00 TAAR1 (0.62) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL30320284 1.00 TAAR1 (0.62) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL3696409 1.00 TAAR1 (0.62) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL16356746 0.88 TAAR1 (0.62) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL29067215 0.86 TAAR1 (0.65) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL7307051 0.85 CYP3A4 (0.63) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL4329251 0.84 CYP3A4 (0.61) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL14377906 0.84 CYP3A4 (0.61) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL7385509 0.84 CYP3A4 (0.61) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL7118271 0.84 TAAR1 (0.58) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109400573-B Benzo [ d ] [1,3] dioxole compound, preparation method and application thereof 中国人民解放军第二军医大学 2023-04-11 CN claimed
CN-109400573-A Benzo [d] [1,3] dioxole class compound, preparation method and applications 中国人民解放军第二军医大学 2019-03-01 CN claimed
CN-117897223-A Plant protein-based microcapsules 弗门尼舍有限公司 2024-04-16 CN disclosed
CN-117813154-A Polyamide-based microcapsules 弗门尼舍有限公司 2024-04-02 CN disclosed
CN-117715697-A Microcapsules with mineral layer 弗门尼舍有限公司 2024-03-15 CN disclosed
CN-117460573-A Polyamide-based microcapsules 弗门尼舍有限公司 2024-01-26 CN disclosed
CN-117377527-A Polyamide-based microcapsules 弗门尼舍有限公司 2024-01-09 CN disclosed
CN-117202987-A Microcapsules based on acetoacetyl polymers 弗门尼舍有限公司 2023-12-08 CN disclosed
CN-117157140-A Coated core-shell microcapsules 弗门尼舍有限公司 2023-12-01 CN disclosed
WO-2023224604-A1 FRAGRANCE COMPOSITIONS AND PRODUCTS CONVEYING A POSITIVE MOOD SYMRISE AG (DE) 2023-11-23 WO disclosed
CN-117098598-A Crosslinked core-shell microcapsules 弗门尼舍有限公司 2023-11-21 CN disclosed
EP-1858934-B1 METALLOCENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2013-04-24 EP disclosed
WO-2010131274-A1 PROCESS FOR PREPARING HYDROCINNAMIC ALDEHYDES IN ENANTIOPURE OR ENANTIOMERICALLY ENRICHED FORM ENDURA S.P.A (IT) 2010-11-18 WO disclosed
WO-2010131274-A1 PROCESS FOR PREPARING HYDROCINNAMIC ALDEHYDES IN ENANTIOPURE OR ENANTIOMERICALLY ENRICHED FORM ENDURA S.P.A (IT) 2010-11-18 WO disclosed
US-7803887-B2 Metallocene compounds BASELL POLYOLEFINE GMBH (DE) 2010-09-28 US disclosed
US-20090221772-A1 Bridged bis indenyl ligands where the indene ring is further fused to an oxygen or sulfur-containing ring, such as mu -{Bis-[ eta 5-8-(4-tert-butylphenyl)-6-methyl-5H-indeno[5,6-a][1,3]dioxol-5-yl]dimethylsilanediyl}dichlorozirconium; olefin polymerization catalysts; very high molecular weight BASELL POLYLEFINE GMBH (DE) 2009-09-03 US disclosed
EP-1858934-A1 METALLOCENE COMPOUNDS Basell Polyolefine GmbH (DE) 2007-11-28 EP disclosed
WO-2006097500-A1 METALLOCENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2006-09-21 WO disclosed
US-5599951-A ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-02-04 US disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP 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-20090221772-A1 Bridged bis indenyl ligands where the indene ring is further fused to an oxygen or sulfur-containing ring, such as mu -{Bis-[ eta 5-8-(4-tert-butylphenyl)-6-methyl-5H-indeno[5,6-a][1,3]dioxol-5-yl]dimethylsilanediyl}dichlorozirconium; olefin polymerization catalysts; very high molecular weight LTC4S, HMOX1, OPRM1 TAAR1 736/4885SLC6A4 4636/4885SLC6A2 4771/4885

“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.