SCHEMBL25985239

SCHEMBL25985239

CCC(CCCN1CCCC1=O)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PIK3CD O00329 1/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL25633842 0.92 KMT2A (0.43) SMN1; SMN2KMT2AGAARAB9AL3MBTL1
SCHEMBL8076154 0.80 GAA (0.39) SMN1; SMN2KMT2AGAARAB9AL3MBTL1
SCHEMBL12391710 0.79 LMNA (0.46) GAAPIK3CDTSHRLMNACA12
SCHEMBL23645837 0.77 PIK3CD (0.47) SMN1; SMN2KMT2ARAB9AL3MBTL1PIK3CD
SCHEMBL1978043 0.75 PIK3CD (0.51) SMN1; SMN2KMT2ARAB9APIK3CDNPC1
SCHEMBL31482294 0.74 GAA (0.62) SMN1; SMN2KMT2AGAARAB9AALDH1A1
Triacetin SCHEMBL28102878 0.74 PIK3CD (0.41) SMN1; SMN2KMT2AGAAL3MBTL1PIK3CD
SCHEMBL104477 0.73 PIK3CD (0.61) KMT2ARAB9APIK3CDNPC1TSHR
SCHEMBL14488847 0.72 PIK3CD (0.47) SMN1; SMN2KMT2APIK3CDALDH1A1TSHR
SCHEMBL28484539 0.72 GAA (0.46) SMN1; SMN2KMT2AGAARAB9AL3MBTL1

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-20240024330-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2024-01-25 US disclosed
US-20230255942-A1 CRF1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA QUOTIENT SCIENCES LIMITED (GB) 2023-08-17 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-20230255942-A1 CRF1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA CRHR1, MC2R, CRHR2 SMN1; SMN2 2707/4885KMT2A 2805/4885GAA 2203/4885
US-20240024330-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE CRHR1, CRHR2, MC2R SMN1; SMN2 2348/4885KMT2A 3173/4885GAA 2049/4885

“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.