SCHEMBL3392489

SCHEMBL3392489

CC(c1ccccc1)C(C(=O)O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.70
KMT2A Q03164 1/20 0.52
SRC P12931 1/20 0.50
LMNA P02545 4/20 0.48
MAPK1 P28482 2/20 0.48
PTGS2 P35354 3/20 0.45
MME P08473 3/20 0.45
APAF1 O14727 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.43
PTGS1 P23219 2/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL15554269 1.00 CYP2D6 (0.70) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL28329595 0.90 CYP2D6 (0.57) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL6393928 0.90 CYP2D6 (0.57) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL16093541 0.89 CYP2D6 (0.67) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL3496208 0.89 CYP2D6 (0.55) CYP2D6KMT2APTGS2
SCHEMBL6180012 0.89 CYP2D6 (0.55) CYP2D6KMT2ASRCLMNAPTGS2
SCHEMBL5158960 0.84 CYP2D6 (0.73) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL193565 0.84 CYP2D6 (0.73) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL66944 0.84 CYP2D6 (0.73) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL7815004 0.83 CYP2D6 (1.00) CYP2D6KMT2ASRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197948-B1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL LLC (US) 2020-04-01 EP claimed
EP-3684898-B1 METHOD FOR PRODUCING AN ACTIVE SUBSTANCE WAFER SYMRISE AG (DE) 2025-04-30 EP disclosed
CN-115003343-B Device and method for analytically and sensitively determining the release of active ingredients from a release system 西姆莱斯股份公司 2024-12-24 CN disclosed
CN-115103719-B Encapsulated fragrance based on natural amino acids 西姆莱斯股份公司 2024-12-06 CN disclosed
CN-113766969-B Method for preparing microcapsules 西姆莱斯股份公司 2024-05-14 CN disclosed
EP-4359496-A1 AROMA OR FRAGRANCE COMPOSITIONS, COMPRISING 4-METHYLHEPTAN-3-ONE, AND METHODS FOR PRODUCING THEM Symrise AG (DE) 2024-05-01 EP disclosed
CN-113840540-B Perfume or flavour mixture 西姆莱斯股份公司 2024-04-30 CN disclosed
CN-114901745-B Colored particles 西姆莱斯股份公司 2024-03-08 CN disclosed
US-20220411728-A1 HOME CARE PRODUCT OR FORMULATION SYMRISE AG (DE) 2022-12-29 US disclosed
WO-2022268285-A1 AROMA OR FRAGRANCE COMPOSITIONS, COMPRISING 4-METHYLHEPTAN-3-ONE, AND METHODS FOR PRODUCING THEM SYMRISE AG (DE) 2022-12-29 WO disclosed
US-20100143968-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-06-10 US disclosed
WO-2010054319-A2 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-05-14 WO disclosed
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2009-09-24 US disclosed
US-7348035-B2 Cyclodextrin particle SYMRISE GMBH & CO. KG (DE) 2008-03-25 US disclosed
US-20040234479-A1 Cyclodextrin particle SYMRISE GMBH & CO. KG (DE) 2004-11-25 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0275354-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE ARYLACETIC ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-10-16 EP disclosed
US-4762948-A USING METALLOCENYL PHOSPHINE REDUCING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-09 US disclosed
EP-0275354-A1 Process for preparing optically active arylacetic acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-27 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 (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-20100143968-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA CYP2D6 1443/4885KMT2A 1693/4885SRC 4348/4885
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES ADH1A, ADH1C, ALDH1A1 CYP2D6 482/4885KMT2A 2901/4885SRC 4657/4885

“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.