SCHEMBL18347381

SCHEMBL18347381

CC(=O)c1ccc(CC2(C(=O)OC(C)(C)C)CCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.37
PRNP P04156 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
DGAT1 O75907 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
SCHEMBL18347384 0.97 LMNA (0.38) TSHRLMNAHPGDALDH1A1PRNP
SCHEMBL18347385 0.95 LMNA (0.40) TSHRLMNAHPGDALDH1A1PRNP
SCHEMBL18347406 0.90 TP53 (0.36) HPGDALDH1A1HDAC1HDAC8HDAC6
SCHEMBL18347408 0.87 TP53 (0.36) HPGDALDH1A1HDAC1HDAC8HDAC6
SCHEMBL18347391 0.84 TP53 (0.38) HPGDALDH1A1HDAC1HDAC8HDAC6
SCHEMBL15540317 0.80 PRSS1 (0.37) TSHRHPGDALDH1A1L3MBTL1HDAC1
SCHEMBL18347390 0.75 TP53 (0.44) TSHRHPGDALDH1A1CYP4F2CYP4A11
SCHEMBL18347395 0.73 SMN1; SMN2 (0.47) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL18347402 0.72 TP53 (0.44) TSHRHPGDALDH1A1CYP4F2CYP4A11
SCHEMBL18347387 0.72 TP53 (0.36) TSHRHPGDALDH1A1PRSS1TMPRSS15

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 TSHR 222/4885LMNA 3256/4885HPGD 1642/4885

“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.