SCHEMBL2688006

SCHEMBL2688006

COC(=O)Cc1c(C)ccc(Br)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
KDM4E B2RXH2 5/20 0.38
NPC1 O15118 5/20 0.38
KMT2A Q03164 2/20 0.38
EGFR P00533 3/20 0.37
HSP90AB1 P08238 1/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 3/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 3/20 0.36

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
SCHEMBL31514229 0.85 GAA (0.40) ALDH1A1SMN1; SMN2KDM4EKMT2AHSD17B10
SCHEMBL31514224 0.83 SMN1; SMN2 (0.40) ALDH1A1CYP4F2CYP4A11RAB9ASMN1; SMN2
SCHEMBL17788082 0.82 CYP4F2 (0.41) ALDH1A1CYP4F2CYP4A11RAB9ASMN1; SMN2
SCHEMBL16389322 0.81 ALDH1A1 (0.47) ALDH1A1CYP4F2CYP4A11RAB9ASMN1; SMN2
SCHEMBL1004496 0.80 CYP1A2 (0.45) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL27373221 0.79 KDM4E (0.44) ALDH1A1CYP4F2CYP4A11RAB9ASMN1; SMN2
SCHEMBL30755391 0.79 KDM4E (0.44) ALDH1A1CYP4F2CYP4A11RAB9ASMN1; SMN2
SCHEMBL2347706 0.79 GSK3B (0.36) ALDH1A1KMT2AHPGDNCEH1
SCHEMBL16346122 0.78 GAA (0.44) ALDH1A1CYP4F2CYP4A11RAB9ASMN1; SMN2
SCHEMBL20039159 0.77 ALDH1A1 (0.43) ALDH1A1CYP4F2CYP4A11RAB9ASMN1; SMN2

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 10 patents. 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
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-8664428-B2 Method for producing (2,4-dimethylbiphenyl-3-yl)acetic acids, the esters thereof and intermediate compounds BAYER CROPSCIENCE AG (DE) 2014-03-04 US disclosed
US-8664428-B2 Method for producing (2,4-dimethylbiphenyl-3-yl)acetic acids, the esters thereof and intermediate compounds BAYER CROPSCIENCE AG (DE) 2014-03-04 US disclosed
US-8664428-B2 Method for producing (2,4-dimethylbiphenyl-3-yl)acetic acids, the esters thereof and intermediate compounds BAYER CROPSCIENCE AG (DE) 2014-03-04 US 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
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
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 (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-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds DDC, DDT, PAH ALDH1A1 40/4885CYP4F2 415/4885CYP4A11 326/4885

“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.