SCHEMBL18347399

SCHEMBL18347399

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 8/20 0.41
MAPK1 P28482 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 1/20 0.41
DAO P14920 1/20 0.40
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38

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 0.95 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL18347395 0.95 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL18347400 0.88 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL18347403 0.86 TP53 (0.46) SMN1; SMN2MAPK1DAOTP53L3MBTL1
SCHEMBL18347407 0.83 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL18347401 0.83 MEN1 (0.40) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL18347409 0.82 TP53 (0.38) SMN1; SMN2ALDH1A1DAOTP53
SCHEMBL18347391 0.82 TP53 (0.38) SMN1; SMN2ALDH1A1DAOTP53
SCHEMBL18347404 0.81 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AMEN1ALDH1A1DAO
SCHEMBL18347390 0.81 TP53 (0.44) SMN1; SMN2ALDH1A1DAOTP53

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 4730/4885KMT2A 2461/4885MEN1 1977/4885

“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.