SCHEMBL20158626

SCHEMBL20158626

CC(C)CCc1ccc(O)c(CN(CCN(COC=O)Cc2cc(CCC(=O)O)ccc2O)CC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
THRA P10827 4/20 0.36
THRB P10828 4/20 0.36
FFAR4 Q5NUL3 5/20 0.35
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
BCL2L1 Q07817 2/20 0.33
FFAR1 O14842 2/20 0.33
MCL1 Q07820 1/20 0.33
ALOX5 P09917 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
IAPP P10997 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
SCHEMBL20158615 0.92 FOLH1 (0.40) FOLH1MCL1ALOX5NFKB1POLB
SCHEMBL18292001 0.91 FOLH1 (0.54) FOLH1THRATHRBFFAR4FFAR1
SCHEMBL25741228 0.89 FOLH1 (0.45) FOLH1THRATHRBFFAR4FFAR1
SCHEMBL26763509 0.82 FOLH1 (0.46) FOLH1THRATHRBFFAR1ALOX5
SCHEMBL1404313 0.82 FOLH1 (0.56) FOLH1FFAR4FFAR1
SCHEMBL22571849 0.81 FOLH1 (0.51) FOLH1THRATHRBFFAR4FFAR1
SCHEMBL25801389 0.81 FOLH1 (0.52) FOLH1THRATHRBFFAR4FFAR1
SCHEMBL27303602 0.79 FOLH1 (0.52) FOLH1THRATHRBFFAR4TP53
SCHEMBL25741233 0.79 FOLH1 (0.52) FOLH1FFAR4FFAR1NFKB1POLB
SCHEMBL18811743 0.78 FOLH1 (0.56) FOLH1THRATHRBFFAR4

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-20180133348-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2018-05-17 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-20180133348-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF CA9, CA14, CA13 FOLH1 15/4885THRA 1676/4885THRB 2222/4885

“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.