SCHEMBL8410331

SCHEMBL8410331

CCOC(=O)CC[C@@H](C)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
TSHR P16473 3/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 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
SCHEMBL8410329 1.00 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL18561876 1.00 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL9649819 0.89 L3MBTL1 (0.42) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL3116497 0.88 CYP1A2 (0.53) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL27932302 0.86 CYP1A2 (0.52) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL10406964 0.85 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL19615380 0.85 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL4036129 0.85 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL27622392 0.85 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL24346289 0.84 CYP1A2 (0.50) KMT2APOLBCYP1A2GAAALDH1A1

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-11718645-B2 Macrocyclic therapeutic agents, methods of manufacture, and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-08-08 US disclosed
US-20170057996-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-03-02 US disclosed
EP-0690049-B1 Agent for treating hepato biliary diseases R TECH UENO LTD (JP) 1999-08-04 EP disclosed
US-5739161-A PROSTAGLANDINS; DIARRHEA SIDE EFFECT REDUCTION R-TECH UENO, LTD. (JP) 1998-04-14 US disclosed
EP-0690049-A2 Agent for treating hepato biliary diseases R-TECH UENO LTD. (JP) 1996-01-03 EP 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-11718645-B2 Macrocyclic therapeutic agents, methods of manufacture, and methods of treatment NFATC1, MCL1, ICOS L3MBTL1 3925/4885KMT2A 2181/4885POLB 2077/4885
US-20170057996-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT NFATC1, MCL1, ICOS L3MBTL1 3925/4885KMT2A 2181/4885POLB 2077/4885

“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.