SCHEMBL15917983

SCHEMBL15917983

C=C(C(=O)O)C(OC(C)=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
HSD17B10 Q99714 2/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.34
CASP2 P42575 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL4014931 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4HSD17B10LMNATSHR
SCHEMBL28946649 0.85 CYP3A4 (0.45) ALDH1A1CYP3A4HSD17B10LMNATSHR
SCHEMBL28970488 0.85 ALDH1A1 (0.45) ALDH1A1CYP3A4HSD17B10LMNATSHR
SCHEMBL28970489 0.85 ALDH1A1 (0.45) ALDH1A1CYP3A4HSD17B10TSHRHPGD
SCHEMBL28803341 0.84 MAPT (0.49) ALDH1A1CYP3A4HSD17B10TSHRNPSR1
SCHEMBL17221835 0.84 ALDH1A1 (0.41) ALDH1A1CYP3A4HSD17B10LMNATSHR
SCHEMBL28970480 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4HSD17B10TSHRMAPK1
SCHEMBL28970499 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4HSD17B10TSHRL3MBTL1
SCHEMBL8069856 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4HSD17B10LMNATSHR
SCHEMBL15917339 0.81 CASP1 (0.42) ALDH1A1CYP3A4HSD17B10LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505760-B2 Pyridopyrimidine based derivatives as potential phosphodiesterase 3 (PDE3) inhibitors and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 US claimed
US-20160194319-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-07-07 US claimed
US-20140221651-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-07 US claimed
CN-114835738-B Method for preparing allyl borate by using biomass-based catalytic material 湖北工程学院 2023-09-29 CN disclosed
CN-114478627-B Allylated monophosphine ligand and preparation method thereof 湖北大学 2023-06-20 CN disclosed
CN-114835738-A Method for preparing allyl borate by using biomass-based catalytic material 湖北工程学院 2022-08-02 CN disclosed
US-9505760-B2 Pyridopyrimidine based derivatives as potential phosphodiesterase 3 (PDE3) inhibitors and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 US disclosed
US-20160194319-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-07-07 US disclosed
US-20140221651-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-07 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 (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-20140221651-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A ALDH1A1 225/4885CYP3A4 462/4885HSD17B10 677/4885
US-20160194319-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A ALDH1A1 1096/4885CYP3A4 173/4885HSD17B10 1436/4885

“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.