SCHEMBL21157758

SCHEMBL21157758

CC(C)CCCCc1ccc(-c2cncnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
ATM Q13315 1/20 0.38
EPHB4 P54760 2/20 0.37
TEK Q02763 2/20 0.37
KDR P35968 1/20 0.37
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RARB P10826 6/20 0.35
TSHR P16473 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL21156448 0.83 CYP2A6 (0.53) GRM2ALDH1A1
SCHEMBL11439088 0.82 FUT7 (0.38) GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL15060896 0.81 RARB (0.53) ATMHSD17B10MEN1ALDH1A1MAPT
SCHEMBL13527238 0.79 HSD17B10 (0.56) ATMHSD17B10MEN1ALDH1A1MAPT
SCHEMBL14415406 0.77 MAOB (0.48) GAAHDAC3HDAC1HDAC2
SCHEMBL12413799 0.77 ATM (0.45) GRM2ATMEPHB4TEKKDR
SCHEMBL13526970 0.77 BACE1 (0.39) GRM2ATMEPHB4TEKKDR
SCHEMBL20224960 0.76 GRIN2D (0.37) GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL21157729 0.75 RARB (0.52) HSD17B10MEN1MAPTKMT2AKDM4E
SCHEMBL24434533 0.74 HRH1 (0.53) KMT2ASMN1; SMN2TSHR

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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 GRM2 4094/4885ATM 3709/4885EPHB4 4793/4885

“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.