SCHEMBL4299733

SCHEMBL4299733

COc1cc(C(=O)O)c(-c2c(C(=O)O)cc(OC)c(OC)c2OC)c(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
KDM4E B2RXH2 7/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.50
TPMT P51580 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 4/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
PTPN1 P18031 1/20 0.45
MYC P01106 1/20 0.45
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1438926 0.86 PKM (0.62) PKMLCKFYNKDM4EPOLB
SCHEMBL14907064 0.84 SMN1; SMN2 (0.53) PKMKDM4EPOLBMAPTTDP1
SCHEMBL9329569 0.83 PKM (0.46) PKMLCKFYNKDM4EPOLB
SCHEMBL4903560 0.82 PKM (0.58) PKMLCKFYNKDM4EPOLB
SCHEMBL7228025 0.82 MAPT (0.62) PKMLCKFYNKDM4EPOLB
SCHEMBL8911580 0.82 PKM (0.58) PKMLCKFYNKDM4EPOLB
SCHEMBL11929030 0.82 KDM4E (0.69) PKMKDM4EPOLBALDH1A1HSD17B10
SCHEMBL4551834 0.82 PKM (0.54) PKMLCKFYNKDM4EPOLB
SCHEMBL9513890 0.81 GSK3B (0.55) PKMPOLBMAPTALDH1A1CYP3A4
Water SCHEMBL9576667 0.81 MAPT (0.61) PKMLCKFYNKDM4EPOLB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285402-B Pregabalin of Process for the preparation of intermediates 常州大学 2025-05-09 CN claimed
CN-117285402-A Preparation method of pregabalin intermediate 常州大学 2023-12-26 CN claimed
CN-117285402-B Pregabalin of Process for the preparation of intermediates 常州大学 2025-05-09 CN disclosed
CN-117285402-A Preparation method of pregabalin intermediate 常州大学 2023-12-26 CN disclosed
EP-4260854-A1 PHARMACEUTICAL APPLICATION OF FUSED-RING PHENOLIC COMPOUND Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-18 EP disclosed
CN-114601822-A Pharmaceutical use of condensed ring phenolic compounds 润佳(苏州)医药科技有限公司 2022-06-10 CN disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-8614316-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing α-amino acid and derivative thereof with the same NAGASE & CO., LTD. (JP) 2013-12-24 US disclosed
EP-2484667-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same NAGASE & COMPANY, LTD. (JP) 2012-08-08 EP disclosed
EP-2484667-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same NAGASE & COMPANY, LTD. (JP) 2012-08-08 EP disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 EP disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 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 (2 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-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF AADAT, BCAT2, BCAT1 PKM 850/4885LCK 3243/4885FYN 3325/4885
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT PKM 3072/4885LCK 2299/4885FYN 3073/4885

“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.