SCHEMBL20135573

SCHEMBL20135573

CCOCC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.48
TP53 P04637 2/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
SRD5A2 P31213 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL531300 0.86 NPC1 (0.53) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
Terephthalic Acid SCHEMBL2264605 0.85 TSHR (0.60) PLA2G4BALDH1A1TSHRTP53CA1
SCHEMBL11461527 0.85 PLA2G4B (0.50) PLA2G4BALDH1A1TSHRTP53
SCHEMBL13606921 0.84 NPC1 (0.54) ALDH1A1TSHRTP53SMN1; SMN2MAPT
SCHEMBL10497910 0.81 ALDH1A1 (0.70) PLA2G4BALDH1A1TSHRTP53MAPT
SCHEMBL28691916 0.81 HDAC3 (0.59) ALDH1A1CA1CA2SMN1; SMN2MAPT
SCHEMBL7290567 0.79 CA1 (0.54) PLA2G4BALDH1A1TSHRTP53CA1
Ether SCHEMBL2807620 0.79 RXRA (0.58) ALDH1A1RXRARXRB
Terephthalic Acid SCHEMBL9404160 0.79 ALDH1A1 (0.54) PLA2G4BALDH1A1TSHRTP53CA1
Terephthalic Acid SCHEMBL10755330 0.79 RXRA (0.58) ALDH1A1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 PLA2G4B 1411/4885ALDH1A1 584/4885TSHR 3522/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 PLA2G4B 1849/4885ALDH1A1 610/4885TSHR 3141/4885

“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.