SCHEMBL23969603

SCHEMBL23969603

CCCCOC(=O)CNC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MMP1 P03956 1/20 0.58
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
PLA2G4B P0C869 2/20 0.54
RARB P10826 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL27530408 0.90 POLB (0.66) POLBTDP1MEN1KMT2AMMP1
SCHEMBL11676473 0.84 NAAA (0.61) POLBTDP1MEN1KMT2AMMP1
SCHEMBL11677404 0.84 NAAA (0.61) POLBTDP1MEN1KMT2AMMP1
SCHEMBL27623142 0.84 NAAA (0.61) POLBTDP1MEN1KMT2AMMP1
SCHEMBL11675750 0.82 TDP1 (0.59) POLBTDP1MEN1KMT2ATP53
SCHEMBL11677909 0.82 MEN1 (0.79) POLBTDP1MEN1KMT2AMMP1
SCHEMBL8947350 0.81 MMP1 (0.72) POLBTDP1MEN1KMT2AMMP1
Terephthalic Acid SCHEMBL28237282 0.80 TSHR (0.63) POLBTDP1TP53TSHRHTT
Terephthalic Acid SCHEMBL23910547 0.80 TSHR (0.63) POLBTDP1TP53TSHRHTT
SCHEMBL24224262 0.79 KMT2A (0.59) POLBTDP1MEN1KMT2ATSHR

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-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2022-01-27 US disclosed
US-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-02 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-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions PCSK9, LIPA, ACSL3 POLB 1643/4885TDP1 4278/4885MEN1 2765/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 POLB 1446/4885TDP1 4230/4885MEN1 2960/4885

“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.