SCHEMBL19088263

SCHEMBL19088263

CC1(C(=O)OCc2ccccc2)CCCOC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL20599446 0.92 ALDH1A1 (0.46) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL1256462 0.86 ALDH1A1 (0.51) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL18692576 0.84 ALDH1A1 (0.53) DDB1CRBNALDH1A1KMT2ANR1H2
SCHEMBL12621202 0.84 ALDH1A1 (0.53) DDB1CRBNALDH1A1KMT2A
SCHEMBL15114589 0.83 KMT2A (0.51) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL20221555 0.83 ALDH1A1 (0.51) DDB1CRBNALDH1A1
SCHEMBL16837713 0.82 DDB1 (0.41) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL19843713 0.82 MEN1 (0.45) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL6709368 0.79 ALDH1A1 (0.54) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL16837719 0.78 DDB1 (0.41) DDB1CRBNALDH1A1MEN1KMT2A

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-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 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-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS DDB1 1828/4885CRBN 1458/4885ALDH1A1 1076/4885

“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.