SCHEMBL18347403

SCHEMBL18347403

COC(=O)C1(Cc2ccc(C(=O)O)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
DAO P14920 4/20 0.39
MRGPRX4 Q96LA9 2/20 0.37
HPGD P15428 3/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
LIG1 P18858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PARP1 P09874 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL18347390 0.94 TP53 (0.44) TP53DAOMRGPRX4HPGDMAPT
SCHEMBL18347402 0.94 TP53 (0.44) TP53DAOMRGPRX4HPGDMAPT
SCHEMBL18347399 0.86 SMN1; SMN2 (0.49) TP53DAOSMN1; SMN2MAPK1L3MBTL1
SCHEMBL18347391 0.85 TP53 (0.38) TP53DAOMRGPRX4HPGDMAPT
SCHEMBL18347409 0.85 TP53 (0.38) TP53DAOMRGPRX4HPGDMAPT
SCHEMBL18347400 0.82 SMN1; SMN2 (0.39) TP53DAOSMN1; SMN2TSHRMAPK1
SCHEMBL18347410 0.81 SMN1; SMN2 (0.47) DAOSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL18347395 0.81 SMN1; SMN2 (0.47) DAOSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL18347408 0.80 TP53 (0.36) TP53DAOMRGPRX4HPGDPKM
SCHEMBL18347405 0.80 PRSS1 (0.36) TP53DAOMRGPRX4HPGDPKM

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 146/4885MRGPRX4 857/4885

“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.