SCHEMBL18347404

SCHEMBL18347404

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
TSHR P16473 1/20 0.33
DAO P14920 3/20 0.33
CA2 P00918 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
ADORA2B P29275 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PKM P14618 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
SCHEMBL18347410 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1DAOMEN1KMT2A
SCHEMBL18347405 0.85 PRSS1 (0.36) SMN1; SMN2PRSS1TMPRSS15ALDH1A1HPGD
SCHEMBL18347395 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1DAOMEN1KMT2A
SCHEMBL18347402 0.83 TP53 (0.44) SMN1; SMN2PRSS1TMPRSS15ALDH1A1HPGD
SCHEMBL18347401 0.83 MEN1 (0.40) SMN1; SMN2ALDH1A1HPGDTP53TSHR
SCHEMBL18347387 0.82 TP53 (0.36) SMN1; SMN2PRSS1TMPRSS15ALDH1A1HPGD
SCHEMBL18347390 0.81 TP53 (0.44) SMN1; SMN2PRSS1TMPRSS15ALDH1A1HPGD
SCHEMBL18347399 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TP53DAOMEN1
SCHEMBL18347407 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDTP53TSHR
SCHEMBL18347408 0.80 TP53 (0.36) SMN1; SMN2PRSS1TMPRSS15ALDH1A1HPGD

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 SMN1; SMN2 4730/4885PRSS1 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.