SCHEMBL3368230

SCHEMBL3368230

COc1cc(O)cc2c1O[C@@H](c1ccc(O)cc1)CC2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.59
ESR2 Q92731 2/20 0.56
ESR1 P03372 2/20 0.56
TAS2R31 P59538 2/20 0.56
PTPN1 P18031 1/20 0.56
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
PABPC1 P11940 1/20 0.55
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55
EIF4H Q15056 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PPARG P37231 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
TUBB4A P04350 1/20 0.54

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
SCHEMBL3364494 0.92 MEN1 (0.65) CYP19A1PTPN1MAPTMEN1KMT2A
SCHEMBL5085606 0.90 CYP19A1 (0.63) CYP19A1ESR2ESR1TAS2R31PTPN1
SCHEMBL14829728 0.89 CYP19A1 (0.65) CYP19A1TAS2R31PTPN1MAPTMEN1
SCHEMBL6503931 0.89 POLB (0.62) CYP19A1PTPN1MAPTMEN1KMT2A
SCHEMBL349721 0.82 CYP19A1 (0.62) CYP19A1ESR2ESR1MAPTMEN1
SCHEMBL773767 0.82 CYP19A1 (0.66) CYP19A1ESR2ESR1TAS2R31PTPN1
SCHEMBL6509053 0.81 CYP1A1 (0.68) CYP19A1TAS2R31PTPN1MAPTPOLB
SCHEMBL2319144 0.81 CYP19A1 (0.68) CYP19A1TAS2R31PTPN1MAPTMEN1
SCHEMBL7200859 0.81 CYP1A1 (0.67) CYP19A1TAS2R31MAPTTDP1ADORA3
SCHEMBL17318042 0.81 CYP1A1 (0.67) CYP19A1TAS2R31MAPTTDP1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893173-B1 AMINO-OXO-INDOLE-YLIDENE COMPOUNDS FOR USE IN TREATING SCALP SKIN ITCHING UNILEVER PLC (GB) 2010-10-06 EP claimed
US-20080207928-A1 Hair and/or Scalp Care Compositions Incorporating Flavonoid Compounds CONOPCO, INC. D/B/A UNILEVER 2008-08-28 US claimed
EP-1893173-A1 HAIR AND/OR SCALP CARE COMPOSITIONS INCORPORATING AMINO-OXO-INDOLE-YLIDENE COMPOUNDS Unilever Plc (GB) 2008-03-05 EP claimed
WO-2006097191-A1 HAIR AND/OR SCALP CARE COMPOSITIONS INCORPORATING FLAVONOID COMPOUNDS UNILEVER PLC (GB) 2006-09-21 WO claimed
US-4617293-A Flavonoid phosphate salts of aminoglycoside antibiotics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1986-10-14 US claimed
CN-107753542-B South American wedelia chinensis antioxidant extract and preparation method and application thereof 海南师范大学 2021-05-07 CN disclosed
US-9434908-B2 Method for extracting an odorous extract by an alternative solvent to conventional solvents CHARABOT (FR) 2016-09-06 US disclosed
EP-1893173-B1 AMINO-OXO-INDOLE-YLIDENE COMPOUNDS FOR USE IN TREATING SCALP SKIN ITCHING UNILEVER PLC (GB) 2010-10-06 EP disclosed
EP-2082726-A2 Hair and/or scalp care compositions incorporating flavonoid compounds Unilever PLC (GB) 2009-07-29 EP disclosed
US-20080287374-A1 BREAST CANCER-RESISTANT PROTEIN INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-11-20 US disclosed
US-20080207928-A1 Hair and/or Scalp Care Compositions Incorporating Flavonoid Compounds CONOPCO, INC. D/B/A UNILEVER 2008-08-28 US disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
WO-2006097191-A1 HAIR AND/OR SCALP CARE COMPOSITIONS INCORPORATING FLAVONOID COMPOUNDS UNILEVER PLC (GB) 2006-09-21 WO disclosed
US-20060135445-A1 Breast cancer-resistant protein inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-22 US disclosed
US-20030166583-A1 Such as epicatechin coadministered with retinoic acid; bioavailability HU, OLIVER YOA-PU (TW) 2003-09-04 US disclosed
EP-1286706-A2 GAMMA IRRADIATION OF PROTEIN-BASED PHARMACEUTICAL PRODUCTS The American National Red Cross (US) 2003-03-05 EP disclosed
WO-2001087357-A2 GAMMA IRRADIATION OF PROTEIN-BASED PHARMACEUTICAL PRODUCTS THE AMERICAN NATIONAL RED CROSS (US) 2001-11-22 WO disclosed
US-4617293-A Flavonoid phosphate salts of aminoglycoside antibiotics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1986-10-14 US disclosed
EP-0065123-B1 HARDLY SOLUBLE SALTS OF AMINOGLYCOSIDE ANTIBIOTICS MERCK PATENT GmbH (DE) 1984-07-25 EP disclosed
EP-0065123-A1 Hardly soluble salts of aminoglycoside antibiotics MERCK PATENT GmbH (DE) 1982-11-24 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-20060135445-A1 Breast cancer-resistant protein inhibitor ABCC1, BCR, BRCA1 CYP19A1 145/4885ESR2 278/4885ESR1 206/4885
US-20080287374-A1 BREAST CANCER-RESISTANT PROTEIN INHIBITOR ABCC1, BCR, BRCA1 CYP19A1 145/4885ESR2 278/4885ESR1 206/4885
US-20030166583-A1 Such as epicatechin coadministered with retinoic acid; bioavailability CYP51A1, CYP2E1, CYP7A1 CYP19A1 29/4885ESR2 397/4885ESR1 319/4885
US-20080207928-A1 Hair and/or Scalp Care Compositions Incorporating Flavonoid Compounds POLR1C, F3, AKR1C3 CYP19A1 25/4885ESR2 2056/4885ESR1 1167/4885

“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.