SCHEMBL753448

SCHEMBL753448

Cc1cc(F)cc(C)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.32
RAPGEF4 Q8WZA2 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.31
ALB P02768 1/20 0.31

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
SCHEMBL29956613 0.88 ERN1 (0.42) ERN1PTGS1PTGS2CYP3A4MAPT
SCHEMBL3150103 0.84 PRKDC (0.34) ERN1PTGS1PTGS2CYP3A4MAPT
SCHEMBL9290157 0.84 CYP3A4 (0.46) ERN1PTGS1PTGS2CYP3A4MAPT
SCHEMBL27181737 0.81 ERN1 (0.44) ERN1CYP3A4MAPTFFAR4ALDH1A1
SCHEMBL79252 0.78 ERN1 (0.44) ERN1CYP3A4MAPTFFAR4ALDH1A1
SCHEMBL1929437 0.78 ERN1 (0.44) ERN1CYP3A4MAPTFFAR4ALDH1A1
SCHEMBL29169368 0.76 ERN1 (0.42) ERN1CYP3A4MAPTFFAR4ALDH1A1
SCHEMBL11045347 0.76 ERN1 (0.42) ERN1CYP3A4MAPTFFAR4ALDH1A1
SCHEMBL9579529 0.76 SRC (0.47) ERN1CYP3A4MAPTALDH1A1TSHR
SCHEMBL28225789 0.76 ERN1 (0.42) ERN1CYP3A4MAPTFFAR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118851958-A Acyl sulfonamide compound, preparation method and application thereof 中国医学科学院药物研究所 2024-10-29 CN disclosed
CN-115710248-B Novel selective estrogen receptor down-regulator compound, preparation method and application 南京中医药大学 2024-06-21 CN disclosed
CN-112041307-B Substituted benzothiophene analogs as selective estrogen receptor degrading agents 伊利诺伊大学评议会 2024-02-09 CN disclosed
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US disclosed
CN-116574054-A Selective estrogen receptor down regulator compound, preparation method and application 南京中医药大学 2023-08-11 CN disclosed
EP-4204400-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION Fibrogen, Inc. (US) 2023-07-05 EP disclosed
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN disclosed
CN-115710248-A Novel selective estrogen receptor down-regulator compounds, methods of preparation and uses 南京中医药大学 2023-02-24 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022047230-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. (US) 2022-03-03 WO disclosed
EP-2477976-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-07-25 EP disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 WO disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 ERN1 337/4885PTGS1 3149/4885PTGS2 3305/4885
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB ERN1 1483/4885PTGS1 281/4885PTGS2 909/4885
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION KDM5C, KDM5B, KDM5A ERN1 1481/4885PTGS1 2879/4885PTGS2 2971/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E ERN1 100/4885PTGS1 1707/4885PTGS2 2679/4885

“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.