SCHEMBL18844971

SCHEMBL18844971

CC(C)C(CC(=O)O)(CC(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
EPHX2 P34913 4/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.35
EPHX1 P07099 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6865274 0.76 HMGCR (0.38) EPHX2ALDH1A1KDM4EHTTHSD17B10
SCHEMBL6864589 0.72 ALDH1A1 (0.37) EPHX2ALDH1A1EPHX1KDM4EHTT
SCHEMBL4933401 0.68 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1EPHX1NPC1KMT2A
SCHEMBL7459280 0.66 SLC22A2 (0.39) EPHX2ALDH1A1EPHX1NPC1KMT2A
SCHEMBL6865266 0.66 POLB (0.36) ALDH1A1TSHR
SCHEMBL13609148 0.65 EPHX2 (0.38) EPHX2NPSR1ALDH1A1NPC1KMT2A
SCHEMBL26939367 0.65 SMN1; SMN2 (0.36) SMN1; SMN2EPHX2NPSR1ALDH1A1EPHX1
SCHEMBL9608695 0.65 ALDH1A1 (0.36) SMN1; SMN2EPHX2ALDH1A1KMT2A
SCHEMBL4990698 0.65 THRB (0.38) EPHX2ALDH1A1EPHX1NPC1KMT2A
SCHEMBL5969137 0.65 SLC22A2 (0.38) EPHX2ALDH1A1EPHX1NPC1KMT2A

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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 SMN1; SMN2 3622/4885EPHX2 4833/4885NPSR1 1494/4885

“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.