SCHEMBL18347409

SCHEMBL18347409

CC(C)OC(=O)C1(Cc2ccc(C(=O)O)s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
DAO P14920 5/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.33
LIG1 P18858 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
PRSS1 P07477 3/20 0.32
TMPRSS15 P98073 3/20 0.32
TSHR P16473 1/20 0.32
PTGER2 P43116 1/20 0.32
PTGDR Q13258 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL18347405 0.95 PRSS1 (0.36) TP53DAOALDH1A1HPGDMRGPRX4
SCHEMBL18347387 0.95 TP53 (0.36) TP53DAOALDH1A1HPGDMRGPRX4
SCHEMBL18347403 0.85 TP53 (0.46) TP53DAOHPGDMRGPRX4SMN1; SMN2
SCHEMBL18347399 0.82 SMN1; SMN2 (0.49) TP53DAOALDH1A1SMN1; SMN2
SCHEMBL18347391 0.81 TP53 (0.38) TP53DAOALDH1A1HPGDMRGPRX4
SCHEMBL18347404 0.80 SMN1; SMN2 (0.36) TP53DAOALDH1A1HPGDMRGPRX4
SCHEMBL18347402 0.80 TP53 (0.44) TP53DAOALDH1A1HPGDMRGPRX4
SCHEMBL18347390 0.80 TP53 (0.44) TP53DAOALDH1A1HPGDMRGPRX4
SCHEMBL18347400 0.79 SMN1; SMN2 (0.39) TP53DAOALDH1A1SMN1; SMN2TSHR
SCHEMBL18347395 0.77 SMN1; SMN2 (0.47) DAOALDH1A1SMN1; SMN2

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 3651/4885DAO 146/4885ALDH1A1 881/4885

“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.