SCHEMBL21156909

SCHEMBL21156909

CC(C)CCCOc1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.50
AKT1 P31749 3/20 0.45
AKT2 P31751 6/20 0.44
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 6/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 5/20 0.42
CYP2C19 P33261 5/20 0.42
CYP19A1 P11511 4/20 0.42
CYP1A2 P05177 2/20 0.42
MAPK8 P45983 1/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL15060970 0.84 CYP2D6 (0.59) MAPTCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL13527239 0.81 CYP2D6 (0.56) RARBMAPTCYP2D6CYP3A4CYP2C9
SCHEMBL29941524 0.80 AKT2 (0.64) AKT1AKT2CYP2D6CYP3A4CYP2C9
SCHEMBL13526916 0.79 AKT2 (0.44) AKT1AKT2CYP2D6CYP3A4CYP2C9
SCHEMBL21157729 0.78 RARB (0.52) RARBTDP1MAPTKMT2ACYP2D6
SCHEMBL13251245 0.77 RARB (0.62) RARBTDP1MAPT
SCHEMBL21156450 0.77 RARB (0.51) RARBTDP1MAPTKMT2ACYP2D6
SCHEMBL14466665 0.76 AKT2 (0.59) AKT1AKT2ROCK2
SCHEMBL21157749 0.76 RARB (0.60) RARBTDP1CYP2D6CYP3A4
SCHEMBL7334158 0.76 RARB (0.56) RARBTDP1MAPTKMT2ACYP2D6

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 RARB 3457/4885AKT1 2994/4885AKT2 2616/4885

“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.