SCHEMBL6698952

SCHEMBL6698952

COC(=O)C(C)(O)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
CYP3A4 P08684 3/20 0.46
ESRRG P62508 3/20 0.46
TYR P14679 2/20 0.46
LMNA P02545 1/20 0.46
AR P10275 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR6 P50406 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 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
SCHEMBL10107624 0.82 KMT2A (0.47) LMNAHPGDSLC6A3KCNN4MAPT
SCHEMBL8591431 0.82 MAPT (0.54) LMNAHSD17B10CA1CA2ALDH1A1
SCHEMBL31612944 0.82 SMN1; SMN2 (0.47) LMNAKCNN4ALDH1A1MAPTSRC
SCHEMBL31612949 0.82 SMN1; SMN2 (0.47) LMNAKCNN4ALDH1A1MAPTSRC
SCHEMBL8590506 0.82 EPHX2 (0.41) CYP3A4ESRRGLMNAHPGDTSHR
SCHEMBL11465411 0.82 KMT2A (0.52) CYP3A4TSHRKCNN4ELANEMAPT
SCHEMBL6689010 0.82 KCNN4 (0.64) ARTSHRKCNN4ALDH1A1ELANE
SCHEMBL834511 0.82 CHRM2 (0.53) ESR1ESR2CYP3A4ESRRGTYR
SCHEMBL595015 0.82 KCNN4 (0.64) ARTSHRKCNN4ALDH1A1ELANE
SCHEMBL6684121 0.82 KCNN4 (0.64) ARTSHRKCNN4ALDH1A1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0374184-B1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE MEDICINE (US) 1994-01-12 EP claimed
EP-0528975-A4 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES 1993-09-15 EP claimed
EP-0528975-A1 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1993-03-03 EP claimed
WO-1993001824-A1 COMBINATION THERAPY USING BIOFLAVONOID COMPOUNDS WITH ANTI-CANCER DRUGS BAYLOR COLLEGE OF MEDICINE (US) 1993-02-04 WO claimed
WO-1991017749-A1 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1991-11-28 WO claimed
EP-0374184-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES. BAYLOR COLLEGE MEDICINE (US) 1990-06-27 EP claimed
WO-1989000849-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1989-02-09 WO claimed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
US-20030055056-A1 For use as antitumor and immune suppressive agents, as inhibitors of proliferative cell growth and as prophylactic agents to inhibit and prevent cancer and non-malignant cell growth INDENA S.P.A. (IT) 2003-03-20 US disclosed
US-20020161036-A1 1-(4-methyl-7-(3-methylbut-2-enyloxy)coumarin-8-yl)-3-(pyridin e-3-yl)- propen-1-one for example; antiproliferative agent; tumor, cancer treatment INDENA S.P.A. (IT) 2002-10-31 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
WO-1993001824-A1 COMBINATION THERAPY USING BIOFLAVONOID COMPOUNDS WITH ANTI-CANCER DRUGS BAYLOR COLLEGE OF MEDICINE (US) 1993-02-04 WO disclosed
WO-1991017749-A1 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1991-11-28 WO disclosed
WO-1991017749-A1 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1991-11-28 WO disclosed
EP-0374184-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES. BAYLOR COLLEGE MEDICINE (US) 1990-06-27 EP disclosed
EP-0374184-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES. BAYLOR COLLEGE MEDICINE (US) 1990-06-27 EP disclosed
WO-1989000849-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1989-02-09 WO disclosed
WO-1989000849-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1989-02-09 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 (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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ESR1 775/4885ESR2 418/4885CYP3A4 812/4885
US-20020161036-A1 1-(4-methyl-7-(3-methylbut-2-enyloxy)coumarin-8-yl)-3-(pyridin e-3-yl)- propen-1-one for example; antiproliferative agent; tumor, cancer treatment NFKBIA, MKI67, HPD ESR1 3924/4885ESR2 3345/4885CYP3A4 2122/4885
US-20030055056-A1 For use as antitumor and immune suppressive agents, as inhibitors of proliferative cell growth and as prophylactic agents to inhibit and prevent cancer and non-malignant cell growth HDGF, MKI67, HPD ESR1 4792/4885ESR2 4654/4885CYP3A4 3482/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ESR1 775/4885ESR2 418/4885CYP3A4 812/4885

“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.