SCHEMBL4621876

SCHEMBL4621876

CCOC(=O)C(C)(C)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MMP8 P22894 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SRC P12931 1/20 0.47
RECQL P46063 1/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.44
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8790226 0.86 CA2 (0.44) PIN1LMNAALDH1A1MAPTNPC1
SCHEMBL9437333 0.86 MEN1 (0.51) PIN1POLBNPSR1MMP8LMNA
SCHEMBL6932564 0.84 POLB (0.54) PIN1POLBNPSR1MMP8LMNA
SCHEMBL5884552 0.84 CA12 (0.58) LMNAALDH1A1MAPTNPC1MEN1
SCHEMBL9437357 0.84 PIN1 (0.53) PIN1POLBNPSR1MMP8LMNA
SCHEMBL27585605 0.83 MAPT (0.48) NPSR1LMNAALDH1A1MAPTMEN1
SCHEMBL8790853 0.83 TSHR (0.58) POLBLMNAALDH1A1MAPTMEN1
SCHEMBL5885017 0.83 MAOB (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL8789843 0.82 SMN1; SMN2 (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL28458817 0.82 SRC (0.66) PIN1POLBNPSR1MMP8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378560-B2 Ruthenium complex and process for producing tert-alkyl alcohol therewith KANTO KANGAKU KABUSHIKI KAISHA (JP) 2008-05-27 US disclosed
US-20070265448-A1 Ruthenium Complex and Process for Producing Tert-Alkyl Alcohol Therewith KANTO KAGAKU KABUSHIKI KAISHA (JP) 2007-11-15 US disclosed
EP-1813621-A1 RUTHENIUM COMPLEX AND PROCESS FOR PRODUCING TERT-ALKYL ALCOHOL THEREWITH Nagoya Industrial Science Research Institute (JP) 2007-08-01 EP disclosed
US-6924300-B2 Oxyiminoalkanoic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
EP-1077957-B1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-08-04 EP disclosed
EP-1428531-A1 Oxyiminoalkanoic acid derivatives with hypoglycemic and hypolipidemic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-06-16 EP disclosed
CN-1148361-C Oxyiminoalkanoic acid derivatives ����ҩƷ��ҵ��ʽ���� 2004-05-05 CN disclosed
US-20030186985-A1 Oxyiminoalkanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-6495581-B1 DRUG FOR TREATING DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE, ARTERIAL SCLEROSIS AND IMPROVING INSULIN RESISTANCE, INFLAMMATORY DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
US-6251926-B1 OXYIMINOALKANOIC ACID DERIVATIVES HAVING HYPOGLYCEMIC EFFECT AND HYPOLIPIDEMIC EFFECT, IS USEFUL FOR TREATMENT OF DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE INFLAMMATORY DISEASE AND ARTERIOSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
CN-1300285-A Hydroxyiminoalkanoic Acid Derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-20 CN disclosed
EP-1077957-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2001-02-28 EP disclosed
WO-1999058510-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-18 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 (2 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-20030186985-A1 Oxyiminoalkanoic acid derivatives GPR119, IRS1, CPT1A PIN1 4390/4885POLB 2928/4885NPSR1 2726/4885
US-20070265448-A1 Ruthenium Complex and Process for Producing Tert-Alkyl Alcohol Therewith TERT, ADH1C, ADH1A PIN1 2437/4885POLB 276/4885NPSR1 3659/4885

“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.