SCHEMBL21998501

SCHEMBL21998501

CC(C)c1ccn(O)c(=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.42
TYR P14679 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 2/20 0.41
HTT P42858 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
CA2 P00918 2/20 0.41
RNASEH1 O60930 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MDM4 O15151 1/20 0.41
CA1 P00915 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CA5A P35218 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL799134 0.77 PTGS2 (0.39) IDH1TYRALDH1A1ALOX12HTT
SCHEMBL11317932 0.75 PTGS2 (0.49) IDH1TYRALDH1A1ALOX12HTT
SCHEMBL26007774 0.72 PTGS2 (0.46) IDH1TYRALDH1A1ALOX12HTT
SCHEMBL21959664 0.72 IDH1 (0.37) IDH1TYRALDH1A1ALOX12HTT
SCHEMBL889379 0.72 MGLL (0.48) TYRALDH1A1HTTRNASEH1KDM4E
SCHEMBL14501877 0.72 ACACB (0.40) IDH1TYRALDH1A1ALOX12HTT
SCHEMBL26005499 0.72 PTGS2 (0.68) IDH1TYRALDH1A1ALOX12HTT
SCHEMBL26005494 0.72 PTGS2 (0.54) IDH1TYRALDH1A1ALOX12HTT
SCHEMBL15468864 0.71 PTGS2 (0.39) IDH1TYRALDH1A1ALOX12HTT
SCHEMBL15469125 0.71 HDAC6 (0.45) IDH1ALDH1A1KDM4EMAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 IDH1 1172/4885TYR 1614/4885ALDH1A1 2009/4885
US-20200147244-A1 THERANOSTIC CAPTURE AGENTS, COMPOSITIONS, AND METHODS OF USING AND MAKING PSMA1, FOLH1, PSMA6 IDH1 1172/4885TYR 1614/4885ALDH1A1 2009/4885

“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.