SCHEMBL23913177

SCHEMBL23913177

CC(C)(C)CCOCCC(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HDAC2 Q92769 1/20 0.35
CACNA1H O95180 1/20 0.35
DUT P33316 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 4/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL25877041 0.89 ALDH1A1 (0.42) HPGDSMN1; SMN2ALDH1A1HDAC2CACNA1H
SCHEMBL19963737 0.87 ALDH1A1 (0.37) HPGDSMN1; SMN2ALDH1A1CACNA1HDUT
SCHEMBL23594010 0.87 ALDH1A1 (0.37) HPGDSMN1; SMN2ALDH1A1CACNA1HDUT
SCHEMBL19698420 0.84 SIGMAR1 (0.39) HPGDSMN1; SMN2ALDH1A1CACNA1HDUT
SCHEMBL18272838 0.83 CACNA1H (0.41) HPGDSMN1; SMN2ALDH1A1CACNA1HDUT
SCHEMBL20469923 0.83 CA12 (0.38) HPGDSMN1; SMN2ALDH1A1HDAC2CACNA1H
SCHEMBL20317401 0.82 HPGD (0.40) HPGDSMN1; SMN2ALDH1A1HDAC2DUT
SCHEMBL22751820 0.82 ALDH1A1 (0.41) HPGDSMN1; SMN2ALDH1A1HDAC2DUT
SCHEMBL18272857 0.82 CACNA1H (0.40) HPGDSMN1; SMN2ALDH1A1CACNA1HTSHR
SCHEMBL18272803 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226196-A1 COMPOUNDS FOR TARGETED DEGRADATION OF INTERLEUKIN-2-INDUCIBLE T-CELL KINASE AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 US disclosed
US-20230133538-A1 TARGETED DEGRADERS OF ABERRANT TAU BASED ON THE PET TRACER PBB3 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-04 US disclosed
US-20220175722-A1 DEGRADERS OF FIBROBLAST GROWTH FACTOR RECEPTOR 2 (FGFR2) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-09 US disclosed
US-20210332065-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-28 US disclosed
US-20210315904-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-14 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 (5 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-20230226196-A1 COMPOUNDS FOR TARGETED DEGRADATION OF INTERLEUKIN-2-INDUCIBLE T-CELL KINASE AND METHODS OF USE ITK, IKZF2, PBK HPGD 2573/4885SMN1; SMN2 2977/4885ALDH1A1 4140/4885
US-20220175722-A1 DEGRADERS OF FIBROBLAST GROWTH FACTOR RECEPTOR 2 (FGFR2) FGFR2, FGF2, FGFR1 HPGD 4494/4885SMN1; SMN2 766/4885ALDH1A1 2103/4885
US-20210315904-A1 BCL-2 INHIBITORS BCL2L10, BCL2, BCL2L11 HPGD 913/4885SMN1; SMN2 1293/4885ALDH1A1 3743/4885
US-20230133538-A1 TARGETED DEGRADERS OF ABERRANT TAU BASED ON THE PET TRACER PBB3 MAPT, PSEN1, PSEN2 HPGD 4815/4885SMN1; SMN2 699/4885ALDH1A1 3938/4885
US-20210332065-A1 BCL-2 INHIBITORS BCL2L10, BCL2, BCL2L11 HPGD 913/4885SMN1; SMN2 1293/4885ALDH1A1 3743/4885

“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.