SCHEMBL18329004

SCHEMBL18329004

C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CCCF

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
KDR P35968 6/20 0.41
TEK Q02763 4/20 0.41
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36

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
SCHEMBL18328986 0.89 TP53 (0.55) TP53KDRTEKCNR2ALDH1A1
SCHEMBL12608671 0.89 TP53 (0.51) TP53KDRTEKCNR2
SCHEMBL16120082 0.88 TP53 (0.67) TP53KDRTEKCNR2ALDH1A1
SCHEMBL12608691 0.86 TP53 (0.49) TP53KDRTEKCNR2NPC1
SCHEMBL15848979 0.84 TP53 (0.52) TP53KDRTEKCNR2ALDH1A1
SCHEMBL18328991 0.81 SIGMAR1 (0.39) TP53KDR
SCHEMBL12608668 0.81 TP53 (0.82) TP53KDRTEK
SCHEMBL12608669 0.81 TP53 (0.82) TP53KDRTEK
SCHEMBL15848975 0.79 TP53 (0.66) TP53KDRTEKCNR2NPC1
SCHEMBL16454377 0.79 TP53 (0.66) TP53KDRTEKCNR2ALDH1A1

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-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS PANACELA LABS, INC. 2016-12-22 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-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS KLK3, AR, BRDT TP53 13/4885KDR 2457/4885TEK 456/4885

“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.