SCHEMBL8829451

SCHEMBL8829451

Cc1nc(C)c(C(=O)C(C)C)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
HSD17B10 Q99714 8/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 6/20 0.40
POLB P06746 5/20 0.40
USP2 O75604 4/20 0.40
TSHR P16473 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX15 P16050 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL25139662 0.81 MAPT (0.41) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA
SCHEMBL286999 0.78 HSD17B10 (0.47) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA
SCHEMBL27432878 0.78 HSD17B10 (0.47) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL10496189 0.76 HSD17B10 (0.46) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA
SCHEMBL210291 0.76 HSD17B10 (0.50) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA
SCHEMBL114334 0.74 MAPT (0.44) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA
SCHEMBL540823 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA
SCHEMBL20646881 0.72 GAA (0.64) ALDH1A1HSD17B10HPGDLMNAHTT
SCHEMBL19770791 0.71 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA
SCHEMBL8615319 0.71 HSD17B10 (0.43) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
US-5607956-A TREATMENT OF NEURODEGENERATIVE DISORDERS SUCH AS CEREBRAL ISCHEMIA, ALZHEIMER'S DISEASE ASTRA AKTIEBOLAG (SE) 1997-03-04 US disclosed
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 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 (1 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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 ALDH1A1 3716/4885HSD17B10 2990/4885HPGD 1161/4885

“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.