SCHEMBL21281735

SCHEMBL21281735

CCC(CC(C)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
ENPEP Q07075 2/20 0.35
CA1 P00915 1/20 0.34
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL25576437 0.84 CA1 (0.39) CA2SLC1A3SLC1A2SLC1A1CA1
SCHEMBL27861811 0.84 GABRR1 (0.38) MEN1GAAKMT2ASLC1A3SLC1A2
SCHEMBL13304967 0.84 CA1 (0.44) CA2MEN1GAAKMT2ACA1
SCHEMBL29264683 0.83 CA2 (0.43) CA2MAPK1MEN1GAAKMT2A
SCHEMBL14064777 0.82 MEN1 (0.36) CA2MAPK1MEN1GAAKMT2A
SCHEMBL14269087 0.82 MEN1 (0.33) CA2MAPK1MEN1GAAKMT2A
SCHEMBL30499378 0.81 ACE2 (0.45) CA2MAPK1MEN1GAAKMT2A
SCHEMBL28610755 0.81 CA1 (0.49) CA2MEN1GAAKMT2ACA1
SCHEMBL27705382 0.81 CA2 (0.48) CA2MAPK1MEN1GAAKMT2A
SCHEMBL1803154 0.80 CA2 (0.43) CA2MAPK1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732177-B2 Cement slurries, cured cement and methods of making and use of these SAUDI ARABIAN OIL COMPANY (SA) 2023-08-22 US disclosed
US-11185570-B2 Method of treating cardiovascular disease and heart failure with modified relaxin polypeptides BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-30 US disclosed
US-20190256570-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-08-22 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-20190256570-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF RXFP2, RXFP1, RXFP4 CA2 2342/4885MAPK1 3995/4885MEN1 842/4885
US-11185570-B2 Method of treating cardiovascular disease and heart failure with modified relaxin polypeptides RXFP2, RXFP1, RXFP4 CA2 1677/4885MAPK1 4291/4885MEN1 1256/4885

“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.