SCHEMBL23926003

SCHEMBL23926003

Cc1cc2c(c(C(=O)O)c1)CC(=O)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA9 Q16790 4/20 0.40
KDM4E B2RXH2 2/20 0.40
CSNK2A1 P68400 1/20 0.37
MAOB P27338 3/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MYC P01106 1/20 0.36
TTR P02766 1/20 0.36
KMT2A Q03164 1/20 0.36
TPMT P51580 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALDH2 P05091 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL23925731 0.71 KDM4E (0.37) CA12CA9KDM4EMAOBCA2
SCHEMBL13315475 0.66 KDM4E (0.43) KDM4ECSNK2A1MAOBKMT2ATPMT
SCHEMBL21143149 0.66 GLA (0.37) CA12CA9KDM4EKMT2AALDH1A1
SCHEMBL3392534 0.65 KDM4E (0.58) KDM4ECSNK2A1MYCTTRKMT2A
SCHEMBL9015414 0.64 KDM4E (0.44) KDM4ECSNK2A1TTRKMT2AALDH1A1
SCHEMBL6838519 0.64 HPGD (0.36) CA12CA9KDM4EMAOBKMT2A
SCHEMBL5498301 0.63 SMN1; SMN2 (0.50) KDM4ECSNK2A1KMT2AALDH1A1MAPT
SCHEMBL13914928 0.63 KDM4E (0.56) KDM4ECSNK2A1MYCTTRKMT2A
SCHEMBL5029492 0.63 CSNK2A1 (0.58) KDM4ECSNK2A1MYCTTRTPMT
Phthalic Acid SCHEMBL27656626 0.62 ALDH1A1 (0.64) CA12CA9KDM4ECA2CA1

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
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US claimed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO claimed
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 CA12 1684/4885CA9 1611/4885KDM4E 1082/4885

“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.