SCHEMBL2121452

SCHEMBL2121452

COC(=O)C(C)(C)Oc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.68
CYP1A2 P05177 5/20 0.68
CYP3A4 P08684 5/20 0.68
CYP2C19 P33261 4/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP2D6 P10635 2/20 0.68
ABCB11 O95342 2/20 0.68
TSHR P16473 2/20 0.68
HTR2A P28223 2/20 0.68
PMP22 Q01453 2/20 0.68
PPARG P37231 3/20 0.59
CYP2C9 P11712 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
USP2 O75604 2/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
TDP1 Q9NUW8 2/20 0.59

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
SCHEMBL11684008 0.95 PPARA (0.62) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL21991231 0.95 PPARA (0.62) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4755987 0.92 PPARA (0.72) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL10733316 0.90 PPARA (0.53) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL29024630 0.89 PPARA (0.56) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL29024473 0.89 PPARA (0.56) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL11643674 0.87 PPARA (0.70) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL31084129 0.87 PPARA (0.69) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL21992527 0.87 PPARA (0.57) PPARACYP1A2CYP3A4CYP2C19MAPT
Dulofibrate SCHEMBL2110601 0.85 PPARA (0.68) PPARACYP1A2CYP3A4CYP2C19MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220031643-A1 USE OF GEMFIBROZIL AND DERIVATIVE THEREOF FOR TREATMENT AND/OR PREVENTION OF NEURODEGENERATIVE DISEASE KUNMING INSTITUTE OF ZOOLOGY CHINESE ACADEMY OF SCIENCES (CN) 2022-02-03 US disclosed
US-10800733-B2 Acetophenone compound, preparation method therefor, and application thereof in blood lipid regulation SHANGHAI BIOENERGY MEDICINE SCIENCE & TECHNOLOGY CO., LTD. (CN) 2020-10-13 US disclosed
WO-2020082941-A1 USE OF GEMIFIBROZIL AND DERIVATIVE THEREOF FOR TREATMENT AND/OR PREVENTION OF NEURODEGENERATIVE DISEASE 中国科学院昆明动物研究所 2020-04-30 WO disclosed
US-20190292137-A1 Acetophenone Compound, Preparation Method Therefor, And Application Thereof In Blood Lipid Regulation SHANGHAI BIOENERGY MEDICINE SCIENCE & TECHNOLOGY CO., LTD. (CN) 2019-09-26 US disclosed
US-8871894-B2 Production method of polyhydroxyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-10-28 US disclosed
CN-102459416-B Process for production of polyhydroxyimide NISSAN CHEMICAL IND LTD 2014-06-18 CN disclosed
CN-102459416-A Method for producing polyhydroxyimide NISSAN CHEMICAL IND LTD 2012-05-16 CN disclosed
US-20120094232-A1 PRODUCTION METHOD OF POLYHYDROXYIMIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-19 US disclosed
US-5674747-A GENETIC ENGINEERED BACULOVIRUS HAVING SPECIFIC NULEOTIDE SEQUENCE FOR JUVENILE HORMONE ESTERASE OR MUTANT CAPABLE OF DEGRADING INSECT JUVENILE HORMONE, CODES FOR SUBSTITUTED AMINOACID RESIDUE AT LYSINE POSITIN 29 AND 522, OR SERINE 201 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-07 US disclosed
US-5643776-A INSECTICIDES, GENETIC ENGINEERING AND ENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-01 US disclosed
EP-0654076-A1 INSECT DIAGNOSTIC AND CONTROL COMPOSITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-05-24 EP disclosed
WO-1994003588-A1 INSECT DIAGNOSTIC AND CONTROL COMPOSITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-17 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 (4 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-10800733-B2 Acetophenone compound, preparation method therefor, and application thereof in blood lipid regulation FAR1, CYP46A1, CYP51A1 PPARA 243/4885CYP1A2 647/4885CYP3A4 182/4885
US-20220031643-A1 USE OF GEMFIBROZIL AND DERIVATIVE THEREOF FOR TREATMENT AND/OR PREVENTION OF NEURODEGENERATIVE DISEASE HTT, GBA1, SMN1; SMN2 PPARA 169/4885CYP1A2 3615/4885CYP3A4 2041/4885
US-20190292137-A1 Acetophenone Compound, Preparation Method Therefor, And Application Thereof In Blood Lipid Regulation FAR1, CYP46A1, CYP51A1 PPARA 243/4885CYP1A2 647/4885CYP3A4 182/4885
US-20120094232-A1 PRODUCTION METHOD OF POLYHYDROXYIMIDE GRHPR, MRPL21, F12 PPARA 4545/4885CYP1A2 2717/4885CYP3A4 1552/4885

“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.