SCHEMBL21157729

SCHEMBL21157729

CC(C)CCCOc1ccc(-c2cncnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.52
CYP2D6 P10635 7/20 0.49
CYP3A4 P08684 5/20 0.49
CYP19A1 P11511 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
TDP1 Q9NUW8 1/20 0.45
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPHX2 P34913 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
SCHEMBL21156862 0.83 CYP19A1 (0.73) RARBCYP2D6CYP3A4CYP19A1CYP2C9
SCHEMBL15060948 0.83 CYP2D6 (0.68) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL13527237 0.80 CYP2D6 (0.64) RARBCYP2D6CYP3A4CYP19A1CYP2C9
SCHEMBL13251245 0.80 RARB (0.62) RARBTDP1PPARDPPARAMAPT
SCHEMBL21156450 0.79 RARB (0.51) RARBCYP2D6CYP3A4CYP19A1CYP2C9
SCHEMBL21156909 0.78 RARB (0.50) RARBCYP2D6CYP3A4CYP19A1CYP2C9
SCHEMBL7334158 0.78 RARB (0.56) RARBCYP2D6CYP3A4TDP1MAPT
SCHEMBL21157749 0.78 RARB (0.60) RARBCYP2D6CYP3A4TDP1MAPK1
SCHEMBL13526917 0.77 CYP2D6 (0.49) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL21157731 0.77 RARB (0.49) RARBCYP2D6CYP3A4CYP19A1CYP2C9

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 3457/4885CYP2D6 285/4885CYP3A4 84/4885

“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.