SCHEMBL2403526

SCHEMBL2403526

CCC(O)C(C)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
ANPEP P15144 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
SCHEMBL28157993 0.88 TSHR (0.47) TSHRTRPA1ALDH1A1
SCHEMBL1301172 0.88 TSHR (0.47) TSHRTRPA1ALDH1A1
SCHEMBL2402735 0.87 TRPA1 (0.38) TSHRTRPA1
SCHEMBL5907099 0.82 TSHR (0.50) TSHRTRPA1ALDH1A1
SCHEMBL812293 0.80 TSHR (0.40) TSHRTRPA1
SCHEMBL12042669 0.79 TSHR (0.44) TSHRTRPA1ALDH1A1MAPK1ANPEP
SCHEMBL7325421 0.79 TSHR (0.44) TSHRTRPA1ALDH1A1MAPK1ANPEP
SCHEMBL12042668 0.79 TSHR (0.44) TSHRTRPA1ALDH1A1MAPK1ANPEP
SCHEMBL12042667 0.79 TSHR (0.44) TSHRTRPA1ALDH1A1MAPK1ANPEP
SCHEMBL108666 0.79 TSHR (0.44) TSHRTRPA1ALDH1A1MAPK1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014108526-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF PIPECOLIDEPSIN COMPOUNDS PHARMA MAR, S.A. (ES) 2014-07-17 WO claimed
EP-2373678-A1 ANTICANCER COMPOUNDS Pharma Mar S.A. (ES) 2011-10-12 EP claimed
US-20110237520-A1 Anticancer Compounds PHARMA MAR, SA (ES) 2011-09-29 US claimed
WO-2010070078-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2010-06-24 WO claimed
WO-2014108526-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF PIPECOLIDEPSIN COMPOUNDS PHARMA MAR, S.A. (ES) 2014-07-17 WO disclosed
US-20110237520-A1 Anticancer Compounds PHARMA MAR, SA (ES) 2011-09-29 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-20110237520-A1 Anticancer Compounds TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNE1 TSHR 2831/4885TRPA1 3860/4885ALDH1A1 580/4885

“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.