SCHEMBL1004496

SCHEMBL1004496

Cc1ccc(Br)c(C)c1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
AKR1B1 P15121 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
POLB P06746 1/20 0.36
PTGS2 P35354 1/20 0.36
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35

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
SCHEMBL1258872 0.84 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL2347706 0.83 GSK3B (0.36) CYP1A2CYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL12245352 0.81 AKR1B1 (0.53) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL12245353 0.81 AKR1B1 (0.44) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL2688006 0.80 ALDH1A1 (0.39) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL31514229 0.79 GAA (0.40) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL30755273 0.77 KDM4E (0.50) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL1003898 0.77 AKR1B1 (0.52) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL27373218 0.77 KDM4E (0.50) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL12952514 0.77 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068452-A1 GUANFACINE DERIVATIVES AND THEIR USE IN TREATING CANCER NEGIO THERAPEUTICS (BE) 2025-04-03 WO disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
EP-2451767-B1 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL) ACETIC ACIDS, ESTERS THEREOF AND INTERCONNECTIONS BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-2451767-B1 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL) ACETIC ACIDS, ESTERS THEREOF AND INTERCONNECTIONS BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 EP disclosed
CN-102471215-A Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2012-05-23 CN disclosed
EP-2451767-A2 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL)ACETIC ACIDS, THE ESTERS THEREOF AND INTERMEDIATE COMPOUNDS Bayer CropScience AG (DE) 2012-05-16 EP disclosed
US-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds BAYER CROPSCIENCE AG (DE) 2012-05-10 US disclosed
US-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds BAYER CROPSCIENCE AG (DE) 2012-05-10 US disclosed
US-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds BAYER CROPSCIENCE AG (DE) 2012-05-10 US disclosed
US-20110230351-A1 Spiroheterocyclically Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 WO disclosed
WO-2011003530-A2 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL)ACETIC ACIDS, THE ESTERS THEREOF AND INTERMEDIATE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-01-13 WO 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 (5 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 CYP1A2 255/4885CYP3A4 520/4885CYP2C19 502/4885
US-20110230351-A1 Spiroheterocyclically Substituted Tetramic Acid Derivatives AGXT, PTPRG, WIZ CYP1A2 932/4885CYP3A4 1109/4885CYP2C19 1426/4885
US-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds DDC, DDT, PAH CYP1A2 195/4885CYP3A4 151/4885CYP2C19 108/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 CYP1A2 284/4885CYP3A4 275/4885CYP2C19 325/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 CYP1A2 284/4885CYP3A4 275/4885CYP2C19 325/4885

“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.