SCHEMBL9625932

SCHEMBL9625932

CC(C)c1cc[nH]c(=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.46
GABRB1 P18505 5/20 0.46
GABRB2 P47870 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
BLM P54132 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
FAAH O00519 1/20 0.46
TSHR P16473 1/20 0.46
GABRG2 P18507 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL22803201 0.77 PARP1 (0.33) CYP1A2CYP3A4LMNAHPGDBLM
SCHEMBL24823617 0.75 EIF4A3 (0.36) DAOPARP1
SCHEMBL1106174 0.72 JAK2 (0.31) PARP1
SCHEMBL765517 0.71
SCHEMBL24823773 0.71 NOTUM (0.33) KDM4EHSD17B10
SCHEMBL6181276 0.70
SCHEMBL830514 0.70 DAO (0.46) GABRA1GABRB1GABRB2CYP1A2CYP3A4
SCHEMBL6140775 0.69 MAPT (0.43) LMNAHPGDTSHRPARP1ALDH1A1
SCHEMBL2585105 0.69 GABRA1 (0.68) GABRA1GABRB1GABRB2CYP1A2CYP3A4
SCHEMBL29699645 0.69 GABRA1 (0.68) GABRA1GABRB1GABRB2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473764-A1 METAL COMPLEXES Hider, Robert Charles (GB) 1992-03-11 EP claimed
WO-1991014664-A1 METAL COMPLEXES HIDER ROBERT CHARLES (GB) 1991-10-03 WO claimed
EP-0094149-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING A COMPLEX OF IRON WITH N-SUBSTITUTED 3-HYDROXYPYRID-2-ONE OR -4-ONE DERIVATIVES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-09-10 EP claimed
US-11638764-B2 Theranostic capture agents, compositions, and methods of using and making INDI MOLECULAR, INC. (US) 2023-05-02 US disclosed
US-11638764-B2 Theranostic capture agents, compositions, and methods of using and making INDI MOLECULAR, INC. (US) 2023-05-02 US disclosed
US-20200147244-A1 THERANOSTIC CAPTURE AGENTS, COMPOSITIONS, AND METHODS OF USING AND MAKING INDI MOLECULAR, INC. 2020-05-14 US disclosed
EP-0473764-A1 METAL COMPLEXES Hider, Robert Charles (GB) 1992-03-11 EP disclosed
WO-1991014664-A1 METAL COMPLEXES HIDER ROBERT CHARLES (GB) 1991-10-03 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 (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-11638764-B2 Theranostic capture agents, compositions, and methods of using and making PSMA1, FOLH1, PSMA6 GABRA1 3907/4885GABRB1 4190/4885GABRB2 4314/4885
US-20200147244-A1 THERANOSTIC CAPTURE AGENTS, COMPOSITIONS, AND METHODS OF USING AND MAKING PSMA1, FOLH1, PSMA6 GABRA1 3907/4885GABRB1 4190/4885GABRB2 4314/4885

“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.