SCHEMBL6681237

SCHEMBL6681237

C=CCOC(=O)C(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
LMNA P02545 4/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.45
HPGD P15428 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 1/20 0.43
CASP1 P29466 2/20 0.41
CYP2D6 P10635 2/20 0.40
RHOA P61586 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 2/20 0.39

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
SCHEMBL6681242 1.00 CYP3A4 (0.53) CYP3A4LMNAMAPK1CYP2C19ALDH1A1
SCHEMBL10952917 0.84 ALDH1A1 (0.43) CYP3A4ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL1286158 0.84 LMNA (0.50) LMNAMAPK1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2879779 0.84 CYP3A4 (0.59) CYP3A4LMNAMAPK1CYP2C19ALDH1A1
SCHEMBL9230354 0.84 CYP3A4 (0.55) CYP3A4LMNACYP2C19ALDH1A1HSD17B10
SCHEMBL16322805 0.84 LMNA (0.50) LMNAMAPK1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7878160 0.82 CYP3A4 (0.53) CYP3A4LMNAMAPK1CYP2C19ALDH1A1
SCHEMBL11775539 0.81 CYP3A4 (0.49) CYP3A4LMNAMAPK1CYP2C19ALDH1A1
SCHEMBL10676559 0.81 CYP3A4 (0.51) CYP3A4LMNAMAPK1CYP2C19ALDH1A1
SCHEMBL2879781 0.81 CYP3A4 (0.56) CYP3A4LMNAMAPK1CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948490-A1 PROCESS FOR THE PREPARATION OF 2-IMINO-5-PHENYL-4-OXAZOLIDINONE AND ITS INTERMEDIATES Abbott Laboratories (US) 1999-10-13 EP claimed
WO-1998022450-A1 PROCESS FOR THE PREPARATION OF 2-IMINO-5-PHENYL-4-OXAZOLIDINONE AND ITS INTERMEDIATES ABBOTT LABORATORIES (US) 1998-05-28 WO claimed
US-5677463-A Process for the preparation of 2-imino-5-phenyl-4 oxazolidinone and its intermediates ABBOTT LABORATORIES (US) 1997-10-14 US claimed
US-5523459-A OXIDIZING ALPHA-HYDROXYCARBOXYLIC ACID ESTER WITH MOLECULAR OXYGEN IN GASEOUS PHASE IN PRESENCE OF COPPER PHOSPHATE UBE INDUSTRIES, LTD. (JP) 1996-06-04 US claimed
EP-0673914-A2 Preparation of alpha-keto acid ester UBE INDUSTRIES, LTD. (JP) 1995-09-27 EP claimed
CN-114849679-A Solid superacid supported catalyst and preparation method of beta-phenethyl alcohol 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-107089912-B Method for selectively catalyzing and synthesizing mandelate compound by metallocene complex 湖南大学 2020-10-30 CN disclosed
EP-1205464-B1 Production method of 2-cyclohexyl-2-hydroxy-2-phenylacetic acid intermediate therefor and production method thereof SUMIKA FINE CHEMICALS CO LTD (JP) 2004-09-01 EP disclosed
US-6777576-B2 NOVEL 2-(2'-CYCLOHEXEN-1'-YL)-2-HYDROXY- 2-PHENYLACETIC ACID ESTER OBTAINED BY REACTING CYCLOHEXENE AND BENZOYLFORMIC ACID ESTER IN PRESENCE OF A LEWIS ACID IS HYDROLYZED AND REDUCED TO GIVE 2-CYCLOHEXYL-2-HYDROXY-2-PHENYLACETIC ACID SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-08-17 US disclosed
US-20030013911-A1 Production method of 2-cyclohexyl- 2-hydroxy-2-phenylacetic acid intermediate therefor and production method thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-01-16 US disclosed
EP-0951283-A4 NOVEL ARACHIDONIC ACID METABOLITE, 16-HETE UNIV VERMONT (US) 2002-06-26 EP disclosed
EP-1205464-A2 Production method of 2-cyclohexyl-2-hydroxy-2-phenylacetic acid intermediate therefor and production method thereof SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2002-05-15 EP disclosed
US-5677463-A Process for the preparation of 2-imino-5-phenyl-4 oxazolidinone and its intermediates ABBOTT LABORATORIES (US) 1997-10-14 US disclosed
EP-0409234-B1 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions CHISSO CORP (JP) 1994-02-16 EP disclosed
US-5164112-A Optical activity, ferroelectric, short response times CHISSO CORPORATION (JP) 1992-11-17 US disclosed
EP-0409234-A2 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions Chisso Corporation (JP) 1991-01-23 EP disclosed
EP-0140454-B1 PROCESS FOR FORMING ESTERS OF GLYOXYLIC ACIDS STAUFFER CHEMICAL COMPANY (US) 1987-08-19 EP disclosed
EP-0206772-A2 Herbicidal aryloxybenzeneacetic acid derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-30 EP disclosed
US-4524214-A OXIDATION OF AN ORGANOGLYCOLATE ESTER WITH A HYPOHALIDE STAUFFER CHEMICAL COMPANY (US) 1985-06-18 US disclosed
EP-0140454-A2 Process for forming esters of glyoxylic acids STAUFFER CHEMICAL COMPANY (US) 1985-05-08 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 (1 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-20030013911-A1 Production method of 2-cyclohexyl- 2-hydroxy-2-phenylacetic acid intermediate therefor and production method thereof HCAR2, HACL2, HADHB CYP3A4 182/4885LMNA 4131/4885MAPK1 3735/4885

“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.