SCHEMBL18347408

SCHEMBL18347408

CC(C)(C)OC(=O)C1(Cc2ccc(C(=O)O)s2)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PTGDR Q13258 1/20 0.34
DAO P14920 5/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 2/20 0.32
LIG1 P18858 1/20 0.32
DGAT1 O75907 1/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32

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
SCHEMBL18347406 0.97 TP53 (0.36) TP53PRSS1TMPRSS15PTGER3PTGER2
SCHEMBL18347391 0.95 TP53 (0.38) TP53PTGER3PTGER2PTGDRDAO
SCHEMBL18347384 0.90 LMNA (0.38) TP53PRSS1TMPRSS15HDAC1HDAC8
SCHEMBL18347381 0.87 TSHR (0.38) TP53PRSS1TMPRSS15HDAC1HDAC8
SCHEMBL18347402 0.85 TP53 (0.44) TP53PRSS1TMPRSS15DAOMRGPRX4
SCHEMBL18347385 0.84 LMNA (0.40) HDAC1HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL18347410 0.83 SMN1; SMN2 (0.47) DAOSMN1; SMN2ALDH1A1
SCHEMBL18347390 0.83 TP53 (0.44) TP53PRSS1TMPRSS15DAOMRGPRX4
SCHEMBL18347405 0.82 PRSS1 (0.36) TP53PRSS1TMPRSS15PTGER2PTGDR
SCHEMBL18347395 0.81 SMN1; SMN2 (0.47) DAOSMN1; SMN2ALDH1A1

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-20160376248-A1 METHOD FOR PRODUCING HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE, AND PRODUCTION INTERMEDIATE OF SAME EA PHARMA CO., LTD. (JP) 2016-12-29 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-20160376248-A1 METHOD FOR PRODUCING HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE, AND PRODUCTION INTERMEDIATE OF SAME CYP4A11, INSR, CYP2C9 TP53 3651/4885PRSS1 3114/4885TMPRSS15 3625/4885

“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.