SCHEMBL490839

SCHEMBL490839

COc1cc(C(C)C(=O)O)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
BLM P54132 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
AKR1C3 P42330 7/20 0.57
AKR1C2 P52895 7/20 0.57
PTGS2 P35354 3/20 0.57
PTGS1 P23219 2/20 0.57
CDC42 P60953 1/20 0.57
RAC1 P63000 1/20 0.57
CYP1A2 P05177 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
GAA P10253 1/20 0.55
HTT P42858 1/20 0.54
CYP3A4 P08684 1/20 0.54
FOLH1 Q04609 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL30127939 1.00 TSHR (0.71) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL5702711 0.90 TSHR (0.61) TSHRBLMNPSR1SLC22A6GAA
SCHEMBL11187050 0.88 TSHR (0.63) TSHRBLMNPSR1SLC22A6GAA
SCHEMBL490724 0.86 AKR1C3 (0.57) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL490776 0.86 ACHE (0.61) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL14032691 0.86 ACHE (0.61) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL5122373 0.86 ACHE (0.61) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL490875 0.85 TSHR (0.59) TSHRBLMNPSR1SLC22A6GAA
SCHEMBL17179857 0.85 TSHR (0.69) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL31103530 0.84 PTGS2 (0.53) TSHRBLMNPSR1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409974-B Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-12-21 CN claimed
CN-112409974-A Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-02-26 CN claimed
EP-3717496-A1 LIGNIN CONVERSION TO PHENOLIC MOLECULES USING TRANSITION METAL CATALYSTS Spero Renewables, LLC (US) 2020-10-07 EP claimed
US-20120135456-A1 METHOD AND KIT FOR DETECTION OF GUAIACOL-PRODUCING BACTERIUM CALPIS CO., LTD. (JP) 2012-05-31 US claimed
EP-2444502-A1 METHOD AND KIT FOR DETECTION OF GUAIACOL-PRODUCING BACTERIUM Calpis Co., Ltd. (JP) 2012-04-25 EP claimed
EP-1717296-A1 Additives for low sulfur mineral oil distillates, comprising aromatics carrying a hydroxyl group, a methoxy group and an acid function. Clariant Produkte (Deutschland) GmbH (DE) 2006-11-02 EP claimed
US-20060242892-A1 Additives for low-sulfur mineral oil distillates, comprising aromatics which bear a hydroxyl group, a methoxy group and an acid function CLARIANT PRODUKTE (DEUTSCHLAND) GMBH 2006-11-02 US claimed
CN-117990868-A Method for evaluating influence of yoghurt on flavone and phenolic acid in orange juice by adopting in-vitro model simulating gastrointestinal digestion 上海交通大学医学院 2024-05-07 CN disclosed
EP-3842420-B1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS LLC (US) 2022-12-07 EP disclosed
US-11414372-B2 Methods for detecting and determining levels of monolignol ester conjugates incorporated into lignin and compounds relating thereto WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-08-16 US disclosed
CN-112409974-B Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-12-21 CN disclosed
EP-3842420-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners LLC (US) 2021-06-30 EP disclosed
CN-109181061-B Micro-foaming polyethylene scientific and technological plate based on graphene and preparation method thereof 广西旭腾实业集团有限公司 2021-04-23 CN disclosed
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1717296-A1 Additives for low sulfur mineral oil distillates, comprising aromatics carrying a hydroxyl group, a methoxy group and an acid function. Clariant Produkte (Deutschland) GmbH (DE) 2006-11-02 EP disclosed
US-20060242892-A1 Additives for low-sulfur mineral oil distillates, comprising aromatics which bear a hydroxyl group, a methoxy group and an acid function CLARIANT PRODUKTE (DEUTSCHLAND) GMBH 2006-11-02 US disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
EP-1650190-A1 3-aryl-3-methyl-quinoline-2,4-diones, preparation method thereof and pharmaceutical composition containing same Korea Research Institute of Chemical Technology (KR) 2006-04-26 EP disclosed
US-20060084676-A1 3-aryl--3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-04-20 US 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 (3 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-11414372-B2 Methods for detecting and determining levels of monolignol ester conjugates incorporated into lignin and compounds relating thereto HAAO, AOX1, LPO TSHR 4105/4885BLM 2580/4885NPSR1 4148/4885
US-20060084676-A1 3-aryl--3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same HTR6, HTR3B, HTR2C TSHR 265/4885BLM 2371/4885NPSR1 90/4885
US-20120135456-A1 METHOD AND KIT FOR DETECTION OF GUAIACOL-PRODUCING BACTERIUM APEH, GANC, AOC1 TSHR 4359/4885BLM 3816/4885NPSR1 4563/4885

“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.