SCHEMBL79042

SCHEMBL79042

COc1ccc(C(C)=O)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KIF11 P52732 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL29638900 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1KIF11GAA
SCHEMBL615379 0.86 CA12 (0.62) ALDH1A1LMNATSHRRARARARB
SCHEMBL16838797 0.86 KIF11 (0.51) ALDH1A1KMT2AMEN1KIF11GAA
SCHEMBL2470879 0.85 NOTUM (0.62) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL1190600 0.85 CYP2C9 (0.44) ALDH1A1KMT2AMEN1GAACYP2C9
SCHEMBL628125 0.85 MAPK1 (0.54) ALDH1A1KMT2AMEN1GAACYP2C9
SCHEMBL3548152 0.85 GPBAR1 (0.46) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL2773345 0.84 RARA (0.61) ALDH1A1KMT2AMEN1GAACYP2C9
SCHEMBL20342731 0.84 S1PR1 (0.42) KMT2AMEN1KIF11CYP2C9CYP2C19
SCHEMBL12336977 0.84 THRA (0.45) ALDH1A1KMT2AMEN1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3741759-B1 IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-C]PYRIMIDINE COMPOUNDS AND USE THEREOF IN THE TREATMENT OF HYPERURICEMIA AND GOUT EVOPOINT BIOSCIENCES CO LTD (CN) 2023-08-23 EP disclosed
EP-3741759-B1 IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-C]PYRIMIDINE COMPOUNDS AND USE THEREOF IN THE TREATMENT OF HYPERURICEMIA AND GOUT EVOPOINT BIOSCIENCES CO LTD (CN) 2023-08-23 EP disclosed
US-11453674-B2 Heterocyclic compound, preparation method and use thereof in medicine Evopoint Biosciences Co., Ltd. (CN) 2022-09-27 US disclosed
EP-3741759-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF IN MEDICINE Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-11-25 EP disclosed
EP-3741759-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF IN MEDICINE Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-11-25 EP disclosed
US-20200347070-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF IN MEDICINE SHANGHAI PUCHI BIOMEDICAL CO., LTD. (CN) 2020-11-05 US disclosed
US-20200347070-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF IN MEDICINE SHANGHAI PUCHI BIOMEDICAL CO., LTD. (CN) 2020-11-05 US disclosed
EP-3348557-B1 IMIDAZO[1,2A]PYRIDINES FOR TREATING OR PREVENTING HYPERURICEMIA OR GOUT JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2020-04-29 EP disclosed
EP-3348557-B1 IMIDAZO[1,2A]PYRIDINES FOR TREATING OR PREVENTING HYPERURICEMIA OR GOUT JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2020-04-29 EP disclosed
US-10399971-B2 Compound for treating or preventing hyperuricemia or gout JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2019-09-03 US disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 US disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 US disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 US disclosed
EP-1701938-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME Genfit (FR) 2006-09-20 EP disclosed
WO-2005073184-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2005-08-11 WO disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed
US-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 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 (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-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same TYR, DHPS, DDT ALDH1A1 7/4885KMT2A 2238/4885MEN1 1140/4885
US-11453674-B2 Heterocyclic compound, preparation method and use thereof in medicine PAH, NLRP3, CYP11B2 ALDH1A1 1562/4885KMT2A 2802/4885MEN1 272/4885
US-20200347070-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF IN MEDICINE PAH, NLRP3, CYP11B2 ALDH1A1 1562/4885KMT2A 2802/4885MEN1 272/4885
US-10399971-B2 Compound for treating or preventing hyperuricemia or gout SLC10A1, SLC5A1, SLC10A6 ALDH1A1 716/4885KMT2A 2744/4885MEN1 2055/4885

“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.