SCHEMBL27111189

SCHEMBL27111189

CC(S)CCOc1ccc(C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 2/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL11951590 0.84 TDP1 (0.71) TDP1MEN1KMT2AHTTLMNA
SCHEMBL10824702 0.83 KMT2A (0.59) TDP1MEN1KMT2AHTTLMNA
SCHEMBL22579845 0.82 DRD2 (0.48) TDP1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10593412 0.81 MEN1 (0.62) TDP1MEN1KMT2AHTTLMNA
SCHEMBL14579974 0.81 MEN1 (0.62) TDP1MEN1KMT2AHTTLMNA
SCHEMBL21096683 0.80 KCNA3 (0.54) TDP1LMNAMAPK1
SCHEMBL16870165 0.80 KMT2A (0.53) TDP1MEN1KMT2AHTTLMNA
SCHEMBL13568875 0.79 MEN1 (0.61) TDP1MEN1KMT2AHTTLMNA
SCHEMBL6473012 0.78 MEN1 (0.54) TDP1MEN1KMT2AHTTLMNA
SCHEMBL5018762 0.78 MEN1 (0.59) MEN1KMT2ASMN1; SMN2MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066133-A1 THERAPEUTIC AGENTS AND CONJUGATES THEREOF AJ SCIENCES (YIXING) CO., LTD (CN) 2024-02-29 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 (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-20240066133-A1 THERAPEUTIC AGENTS AND CONJUGATES THEREOF TLR9, STING1, TLR3 TDP1 218/4885MEN1 1123/4885KMT2A 812/4885

“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.