SCHEMBL5837006

SCHEMBL5837006

CCOC(=O)CC(O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
MMP8 P22894 1/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
SRR Q9GZT4 2/20 0.49
ABCB1 P08183 1/20 0.48
PPID Q08752 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL31448302 1.00 TRPA1 (0.53) TRPA1MMP8ALDH1A1TSHRSRR
SCHEMBL12268225 1.00 TRPA1 (0.53) TRPA1MMP8ALDH1A1TSHRSRR
SCHEMBL27683839 0.87 TRPA1 (0.50) TRPA1MMP8ALDH1A1SRRABCB1
SCHEMBL11847679 0.85 F10 (0.47) ALDH1A1TSHRMEN1NPC1KMT2A
SCHEMBL18065659 0.85 MMP8 (0.53) MMP8ALDH1A1TSHRSRRPPID
SCHEMBL5829150 0.85 ALDH1A1 (0.58) TRPA1ALDH1A1SRRABCB1TRPV1
SCHEMBL12446348 0.83 MMP8 (0.51) MMP8ALDH1A1TSHRSRRPPID
SCHEMBL7633821 0.83 ABCB1 (0.57) TRPA1ALDH1A1SRRABCB1TRPV1
SCHEMBL1645938 0.82 EPHX1 (0.50) MMP8ALDH1A1TSHRSRRPPID
SCHEMBL5533332 0.82 TRPA1 (0.59) TRPA1ALDH1A1TSHRSRRABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119614529-A Short-chain dehydrogenase, engineering bacteria and application thereof in asymmetric reduction of potential chiral carbonyl compounds 杭州文德阶生物科技有限公司 2025-03-14 CN disclosed
CN-118344296-A Process for the stereoselective preparation of chiral 2- [ (hetero) aralkylthio ] pyrimidines and products obtainable therefrom 坎塞拉有限公司 2024-07-16 CN disclosed
CN-112218853-B Process for the stereoselective preparation of chiral 2- [ (hetero) aralkylthio ] pyrimidines and products obtainable therefrom 坎塞拉有限公司 2024-07-02 CN disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20210387960-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2021-12-16 US disclosed
EP-3715339-B1 PREPARATION METHOD OF BETA-HYDROXYCARBOXYLIC ACID ESTER SHENYANG GOLD JYOUKI TECH CO LTD (CN) 2021-09-29 EP disclosed
EP-3715339-B1 PREPARATION METHOD OF BETA-HYDROXYCARBOXYLIC ACID ESTER SHENYANG GOLD JYOUKI TECH CO LTD (CN) 2021-09-29 EP disclosed
US-11028039-B2 Method for preparing a β-hydroxycarboxylic acid ester Shenyang Gold Jyouki Technology Co., Ltd (CN) 2021-06-08 US disclosed
US-11028039-B2 Method for preparing a β-hydroxycarboxylic acid ester Shenyang Gold Jyouki Technology Co., Ltd (CN) 2021-06-08 US disclosed
US-20200308093-A1 METHOD FOR PREPARING A β -HYDROXYCARBOXYLIC ACID ESTER Shenyang Gold Jyouki Technology Co., Ltd (CN) 2020-10-01 US disclosed
EP-3715339-A1 PREPARATION METHOD OF BETA-HYDROXYCARBOXYLIC ACID ESTER Shenyang Gold Jyouki Technology Co., Ltd (CN) 2020-09-30 EP disclosed
US-10689377-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-06-23 US disclosed
US-20190144444-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-05-16 US disclosed
WO-2018140738-A1 NRF 2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed
US-7109004-B2 Process for reducing an alpha-keto ester MERCK & CO., INC. (US) 2006-09-19 US disclosed
EP-1176135-B1 Process for producing optically active alcohol TAKASAGO PERFUMERY CO LTD (JP) 2005-06-15 EP disclosed
US-20040101937-A1 Process for reducing an alpha-keto ester MERCK & CO., INC. 2004-05-27 US disclosed
US-6492545-B2 Process for producing optically active alcohol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-12-10 US disclosed
US-20020035283-A1 Process for producing optically active alcohol TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1176135-A1 Process for producing optically active alcohol Takasago International Corporation (JP) 2002-01-30 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 (7 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-20190144444-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TRPA1 4503/4885MMP8 1835/4885ALDH1A1 3370/4885
US-20210387960-A1 NRF2 ACTIVATOR NFE2L2, NFE2, KEAP1 TRPA1 1518/4885MMP8 1612/4885ALDH1A1 823/4885
US-11028039-B2 Method for preparing a β-hydroxycarboxylic acid ester HAO2, HAAO, MCCC2 TRPA1 3232/4885MMP8 164/4885ALDH1A1 304/4885
US-20200308093-A1 METHOD FOR PREPARING A β -HYDROXYCARBOXYLIC ACID ESTER HAO2, HAAO, ADH1A TRPA1 3153/4885MMP8 97/4885ALDH1A1 148/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS TRPA1 4503/4885MMP8 1835/4885ALDH1A1 3370/4885
US-20020035283-A1 Process for producing optically active alcohol ADH1A, ADH5, ADH1C TRPA1 4130/4885MMP8 4824/4885ALDH1A1 38/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TRPA1 4503/4885MMP8 1835/4885ALDH1A1 3370/4885

“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.