SCHEMBL4339340

SCHEMBL4339340

CN(C)c1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
MAPT P10636 5/20 1.00
HPGD P15428 4/20 1.00
KDM4E B2RXH2 4/20 0.75
NPC1 O15118 4/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
GAA P10253 2/20 0.75
TSHR P16473 1/20 0.75
MAPK1 P28482 1/20 0.75
HSD17B10 Q99714 1/20 0.75
KMT2A Q03164 5/20 0.69
TDP1 Q9NUW8 3/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
RAB9A P51151 6/20 0.68
LMNA P02545 3/20 0.68
MEN1 O00255 2/20 0.58

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
SCHEMBL29017512 0.94 ALDH1A1 (0.88) ALDH1A1MAPTHPGDKDM4ENPC1
Benzyl Benzoate SCHEMBL29079453 0.94 ALDH1A1 (0.88) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL29079458 0.92 ALDH1A1 (0.86) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL312287 0.86 KMT2A (0.92) ALDH1A1MAPTHPGDNPC1SMN1; SMN2
SCHEMBL3201572 0.84 ALDH1A1 (0.73) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL8477951 0.84 ALDH1A1 (0.72) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL29079463 0.83 ALDH1A1 (0.70) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL6427557 0.83 ALDH1A1 (0.70) ALDH1A1MAPTHPGDKDM4ENPC1
Benzyl Benzoate SCHEMBL27589165 0.83 TDP1 (0.92) ALDH1A1MAPTHPGDNPC1SMN1; SMN2
SCHEMBL9837067 0.83 ALDH1A1 (0.70) ALDH1A1MAPTHPGDKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148658-A BENZOYLMETHYLENE-BENSOTHIAZOLYIDEND-THIAZOLIDONE COMPOUND, AMINE, AND AMINOARYLCARBONYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1979-04-10 US claimed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-06-28 US disclosed
US-20090092801-A1 NONAQUEOUS INKJET INK, INK COMPOSITION FOR INKJET RECORDING, AND SUBSTRATE FOR COLOR FILTER TOYO INK MANUFACTURING CO., LTD. (JP) 2009-04-09 US disclosed
US-4148658-A BENZOYLMETHYLENE-BENSOTHIAZOLYIDEND-THIAZOLIDONE COMPOUND, AMINE, AND AMINOARYLCARBONYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1979-04-10 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 (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-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ALDH1A1 2706/4885MAPT 2183/4885HPGD 3760/4885

“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.