SCHEMBL7533696

SCHEMBL7533696

O=C(COCCOCc1ccccc1)CC(=O)OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 2/20 0.40
NPC1 O15118 1/20 0.39
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.39
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
CYP3A4 P08684 1/20 0.38
FOLH1 Q04609 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGTR2 P50052 1/20 0.38
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
MME P08473 1/20 0.37
CTSB P07858 1/20 0.36

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
SCHEMBL5403079 0.95 SMN1; SMN2 (0.45) SMN1; SMN2HTTALDH1A1MAPTCASP1
SCHEMBL5407625 0.84 MTNR1A (0.37) SMN1; SMN2ALDH1A1MAPTCNR1LMNA
SCHEMBL5401685 0.84 PLA2G4B (0.40) ALDH1A1MAPTCNR1TDP1
SCHEMBL5421203 0.83 MTNR1A (0.36) SMN1; SMN2ALDH1A1MAPTCNR1
SCHEMBL5406752 0.81 CYP19A1 (0.42) SMN1; SMN2ALDH1A1MAPTLMNATDP1
SCHEMBL5402698 0.80 EPHX2 (0.48) SMN1; SMN2HTTLMNACYP3A4L3MBTL1
SCHEMBL5413344 0.80 PLA2G4B (0.47) SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL7528911 0.80 TSHR (0.48) ALDH1A1MAPTCNR1
SCHEMBL5415161 0.78 HTT (0.49) SMN1; SMN2HTTNPC1CYP3A4
SCHEMBL5407213 0.78 HRH3 (0.48) SMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020147222-A1 Dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-10-10 US disclosed
EP-1191021-A1 DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 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-20020147222-A1 Dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C SMN1; SMN2 331/4885HTT 994/4885ALDH1A1 2039/4885

“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.