SCHEMBL20158615

SCHEMBL20158615

CCCc1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(CCC(C)C)ccc2O)COC=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.40
ALOX5 P09917 1/20 0.35
POLB P06746 1/20 0.33
BACE1 P56817 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
DRD3 P35462 3/20 0.32
SIGMAR1 Q99720 2/20 0.32
MCL1 Q07820 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
DRD2 P14416 2/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 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
SCHEMBL20158626 0.92 FOLH1 (0.47) FOLH1ALOX5POLBMCL1NFKB1
SCHEMBL26763509 0.86 FOLH1 (0.46) FOLH1ALOX5IAPPCA12CA1
SCHEMBL25741228 0.83 FOLH1 (0.45) FOLH1POLBBACE1CYP3A4IAPP
SCHEMBL2793289 0.83 ALOX5 (0.48) FOLH1ALOX5POLBBACE1CNR1
SCHEMBL18292001 0.82 FOLH1 (0.54) FOLH1ALOX5POLBBACE1NFKB1
SCHEMBL20412724 0.77 ALDH1A1 (0.34) POLBMCL1TSHRHIF1A
SCHEMBL24296924 0.77 BCHE (0.45) FOLH1ALOX5BACE1DRD3SIGMAR1
SCHEMBL10033353 0.76 AKR1B1 (0.42) DRD3CYP2D6TSHRDRD1ADRA1A
SCHEMBL22571849 0.75 FOLH1 (0.51) FOLH1POLBBACE1DRD3SIGMAR1
SCHEMBL13177449 0.73 BCHE (0.51) FOLH1ALOX5BACE1CNR1CNR2

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 15/4885ALOX5 4753/4885POLB 4683/4885

“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.