SCHEMBL23969611

SCHEMBL23969611

O=C1c2ccccc2C(=O)N1OC(=O)C1(c2ccccc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.50
MAPK1 P28482 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HDAC4 P56524 2/20 0.48
CHRM3 P20309 2/20 0.47
SIGMAR1 Q99720 3/20 0.46
PRCP P42785 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
GAA P10253 1/20 0.46
APOBEC3A P31941 3/20 0.45
APOBEC3G Q9HC16 3/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL30731583 1.00 AKR1C1 (0.50) AKR1C1MAPK1MEN1KMT2AHDAC4
SCHEMBL28653670 0.99 AKR1C1 (0.51) AKR1C1MAPK1MEN1KMT2AHDAC4
SCHEMBL24097137 0.96 AKR1C1 (0.47) AKR1C1MAPK1MEN1KMT2AHDAC4
SCHEMBL21848402 0.93 HSD11B1 (0.44) AKR1C1MAPK1MEN1KMT2AHDAC4
SCHEMBL7385618 0.82 AKR1C1 (0.53) AKR1C1MAPK1MEN1KMT2AHDAC4
SCHEMBL23969626 0.82 HSD11B1 (0.45) MEN1KMT2ASIGMAR1CYP2D6HSD11B1
SCHEMBL23969625 0.79 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30444783 0.79 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27048137 0.79 ALDH1A1 (0.41) MAPK1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL7387576 0.79 AKR1C1 (0.49) AKR1C1MAPK1MEN1KMT2AHDAC4

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 AKR1C1 1355/4885MAPK1 2746/4885MEN1 2765/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 AKR1C1 1192/4885MAPK1 2632/4885MEN1 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.