SCHEMBL5176015

SCHEMBL5176015

CCOc1ccc2c(c1OCC)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.51
HPGD P15428 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
SMAD3 P84022 1/20 0.51
PRMT1 Q99873 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 3/20 0.49
ALOX12 P18054 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
BRCA1 P38398 1/20 0.49

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
SCHEMBL7864064 0.87 FTO (0.55) FTOHPGDMAPTMEN1HTT
SCHEMBL3831388 0.86 CYP3A4 (0.55) FTOHPGDMAPTMEN1HTT
SCHEMBL7542402 0.85 CYP3A4 (0.61) FTOHPGDMAPTMEN1HTT
SCHEMBL562151 0.82 FTO (0.54) FTOHPGDMAPTMEN1HTT
SCHEMBL8203426 0.80 MAPT (0.53) FTOHPGDMAPTMEN1HTT
SCHEMBL2314510 0.77 FTO (0.60) FTOHPGDMAPTMEN1HTT
SCHEMBL6685820 0.76 FTO (0.53) FTOHPGDMAPTMEN1HTT
SCHEMBL3164943 0.76 CYP3A4 (0.87) FTOHPGDMAPTMEN1HTT
SCHEMBL11666220 0.76 FTO (0.59) FTOHPGDMAPTMEN1HTT
SCHEMBL17079673 0.76 FTO (0.55) FTOHPGDMAPTMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4379062-A1 BIOSYSTEM FOR PESTICIDE DETECTION Fundación AZTI - AZTI Fundazioa (ES) 2024-06-05 EP disclosed
US-20240175069-A1 BIOSYSTEM FOR PESTICIDE DETECTION Fundación AZTI – AZTI Fundazioa (ES) 2024-05-30 US disclosed
US-20240060949-A1 BIOSYSTEMS TO DETECT CHEMICAL CONTAMINANTS FUNDACION AZTI/AZTI FUNDAZIOA (ES) 2024-02-22 US disclosed
EP-4271830-A1 BIOSYSTEMS TO DETECT CHEMICAL CONTAMINANTS Fundacion Azti/Azti Fundazioa (ES) 2023-11-08 EP disclosed
WO-2022144095-A1 BIOSYSTEMS TO DETECT CHEMICAL CONTAMINANTS FUNDACION AZTI/AZTI FUNDAZIOA (ES) 2022-07-07 WO disclosed
CN-108368095-B D-proline derivatives as SAP consumables 葛兰素史密斯克莱知识产权发展有限公司 2021-06-08 CN disclosed
EP-1238097-B9 DIETHOXYFLUORESCEIN AS INDICATOR FOR CYTOCHROME P450 SMITHKLINE BEECHAM PLC (GB) 2007-05-30 EP disclosed
EP-1238097-B9 DIETHOXYFLUORESCEIN AS INDICATOR FOR CYTOCHROME P450 SMITHKLINE BEECHAM PLC (GB) 2007-05-30 EP disclosed
EP-1238097-B1 DIETHOXYFLUORESCEIN AS INDICATOR FOR CYTOCHROME P450 SMITHKLINE BEECHAM PLC (GB) 2006-08-23 EP disclosed
EP-1238097-B1 DIETHOXYFLUORESCEIN AS INDICATOR FOR CYTOCHROME P450 SMITHKLINE BEECHAM PLC (GB) 2006-08-23 EP disclosed
US-7056654-B2 Screening assay for inhibitors of human cytochrome P-450 SMITHKLINE BEECHAM CORPORATION (US) 2006-06-06 US disclosed
US-20030077686-A1 Enzyme substrate SMITHKLINE BEECHAM P.L.C. (GB) 2003-04-24 US disclosed
EP-1238097-A2 DIETHOXYFLUORESCEIN AS INDICATOR FOR CYTOCHROME P450 SmithKline Beecham plc (GB) 2002-09-11 EP disclosed
EP-1238097-A2 DIETHOXYFLUORESCEIN AS INDICATOR FOR CYTOCHROME P450 SmithKline Beecham plc (GB) 2002-09-11 EP disclosed
US-6420131-B1 MONITORING PREFRENTIAL ENZYMATIC ACTIVITY; OBTAIN SAMPLE OF ENZYMATIC POLYPEPTIDE, INCUBATE WITH MODULATOR, EVALUATE THE MODULATOR ABILITY TO INHIBIT ENZYMATIC POLYPEPTIDE GENTEST CORPORATION 2002-07-16 US disclosed
EP-1210342-A1 THE USE OF FLUORESCEIN ARYL ETHERS IN HIGH THROUGHPUT CYTOCHROME P450 INHIBITION ASSAYS GENTEST CORPORATION (US) 2002-06-05 EP disclosed
WO-2001044495-A3 DIETHOXYFLUORESCEIN AS INDICATOR FOR CYTOCHROME P450 SMITHKLINE BEECHAM PLC (GB) 2001-11-15 WO disclosed
WO-2001044495-A2 DIETHOXYFLUORESCEIN AS INDICATOR FOR CYTOCHROME P450 SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-21 WO disclosed
WO-2001044495-A2 DIETHOXYFLUORESCEIN AS INDICATOR FOR CYTOCHROME P450 SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-21 WO disclosed
WO-2001014361-A1 THE USE OF FLUORESCEIN ARYL ETHERS IN HIGH THROUGHPUT CYTOCHROME P450 INHIBITION ASSAYS GENTEST CORPORATION (US) 2001-03-01 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-20030077686-A1 Enzyme substrate CYP3A43, CYP2E1, POR FTO 254/4885HPGD 220/4885MAPT 3998/4885

“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.