SCHEMBL2801414

SCHEMBL2801414

COc1ccc(C=C(O)C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
F3 P13726 1/20 0.53
AKR1C3 P42330 1/20 0.53
CYP2A6 P11509 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
NFKB1 P19838 2/20 0.52
TSHR P16473 1/20 0.52
APEX1 P27695 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GSK3B P49841 2/20 0.50
BACE1 P56817 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL3661438 1.00 THRB (0.56) THRBATMALDH1A1KDM4EMAPT
SCHEMBL7820839 0.84 THRB (0.56) THRBATMALDH1A1KDM4EMAPT
SCHEMBL433921 0.84 THRB (0.56) THRBATMALDH1A1KDM4EMAPT
SCHEMBL7820837 0.84 THRB (0.56) THRBATMALDH1A1KDM4EMAPT
SCHEMBL1237225 0.82 AKR1C3 (0.62) THRBATMALDH1A1KDM4EMAPT
SCHEMBL20500020 0.82 AKR1C3 (0.62) THRBATMALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL8581964 0.82 THRB (0.55) THRBATMALDH1A1KDM4EMAPT
SCHEMBL1237224 0.82 AKR1C3 (0.62) THRBATMALDH1A1KDM4EMAPT
SCHEMBL7074870 0.81 TUBB4A (0.57) THRBATMALDH1A1KDM4EMAPT
SCHEMBL17651848 0.81 CAPN1 (0.59) THRBATMALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217093-A1 FLAVOUR-MODULATING COMPOUNDS Givaudan SA (CH) 2010-08-18 EP claimed
WO-2009055953-A1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2009-05-07 WO claimed
EP-3221384-B1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES BRODA TECH LLC (US) 2024-05-01 EP disclosed
EP-2689774-B1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS BRODA TECH CO LTD (CN) 2019-01-30 EP disclosed
US-9937254-B2 Water-soluble supramolecular complexes Broda Technologies Co., Ltd. (CN) 2018-04-10 US disclosed
EP-3221384-A1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES Broda Tech LLC (US) 2017-09-27 EP disclosed
US-20170128574-A1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES Broda Technologies Co., Ltd. (CN) 2017-05-11 US disclosed
US-9592295-B2 Reversely thermo-reversible hydrogel compositions Broda Technologies Co., Ltd. (CN) 2017-03-14 US disclosed
US-20160175445-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS Broda International LLC (US) 2016-06-23 US disclosed
WO-2016081714-A1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES BRODA TECH, LLC (US) 2016-05-26 WO disclosed
US-20150071864-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS Broda Technologies Co., Ltd. (CN) 2015-03-12 US disclosed
EP-2051937-A1 SILICA COATED ZINC OXIDE PARTICLES OBTAINABLE BY A FLAME PYROLYSIS PROCESS Evonik Degussa GmbH (DE) 2009-04-29 EP disclosed
WO-2008019905-A1 SILICA COATED ZINC OXIDE PARTICLES OBTAINABLE BY A FLAME PYROLYSIS PROCESS EVONIK DEGUSSA GMBH (DE) 2008-02-21 WO disclosed
WO-2008015056-A1 OXIDE PARTICLES COMPRISING ZINC AND MANGANESE EVONIK DEGUSSA GMBH (DE) 2008-02-07 WO disclosed
EP-1514533-B1 Cosmetic composition comprising a polysiloxane copolymer DAINICHISEIKA COLOR CHEM (JP) 2007-12-05 EP disclosed
EP-1496080-B1 Alternating copolymer of organopolysiloxane with glycerol derivative and a cosmetic comprising the same SHINETSU CHEMICAL CO (JP) 2006-04-26 EP disclosed
EP-1514533-A1 Cosmetic composition comprising a polysiloxane copolymer Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20050053571-A1 Cosmetic composition DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2005-03-10 US disclosed
US-20050008600-A1 Alternating copolymer of organopolysiloxane with grycerol derivative and a cosmetic comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1496080-A1 Alternating copolymer of organopolysiloxane with glycerol derivative and a cosmetic comprising the same Shin-Etsu Chemical Company, Ltd. (JP) 2005-01-12 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 (5 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-20050053571-A1 Cosmetic composition AHR, TRPA1, H1-0 THRB 2848/4885ATM 1670/4885ALDH1A1 275/4885
US-20170128574-A1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES TP53, PWWP2B, BLM THRB 1499/4885ATM 232/4885ALDH1A1 4644/4885
US-20150071864-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS RAD54L, PGA5, LRBA THRB 276/4885ATM 748/4885ALDH1A1 3772/4885
US-20050008600-A1 Alternating copolymer of organopolysiloxane with grycerol derivative and a cosmetic comprising the same MGLL, DAGLA, AGL THRB 1649/4885ATM 897/4885ALDH1A1 227/4885
US-20160175445-A1 REVERSELY THERMO-REVERSIBLE HYDROGEL COMPOSITIONS RAD54L, PGA5, LRBA THRB 276/4885ATM 748/4885ALDH1A1 3772/4885

“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.