SCHEMBL21156450

SCHEMBL21156450

Cc1ccc(-c2ccc(OCCCC(C)C)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.51
CYP2C9 P11712 5/20 0.48
CYP2C19 P33261 5/20 0.48
CYP2D6 P10635 4/20 0.48
CYP19A1 P11511 4/20 0.48
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.39
RAB9A P51151 3/20 0.39
GRM5 P41594 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGDS O60760 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL16479572 0.83 CYP2D6 (0.66) CYP2C9CYP2C19CYP2D6CYP19A1CYP3A4
SCHEMBL21157731 0.82 RARB (0.49) RARBCYP2C9CYP2C19CYP2D6CYP19A1
SCHEMBL21156862 0.82 CYP19A1 (0.73) RARBCYP2C9CYP2C19CYP2D6CYP19A1
SCHEMBL17795380 0.81 CYP2D6 (0.62) RARBCYP2C9CYP2C19CYP2D6CYP19A1
SCHEMBL7544178 0.81 RARB (0.47) RARBTDP1KMT2AMAPTMAPK1
SCHEMBL21157729 0.79 RARB (0.52) RARBCYP2C9CYP2C19CYP2D6CYP19A1
SCHEMBL1563418 0.78 TDP1 (0.55) TDP1KMT2AMAPTMAPK1RAB9A
SCHEMBL13251245 0.78 RARB (0.62) RARBTDP1MAPTMAPK1RAB9A
SCHEMBL13526923 0.78 CYP2D6 (0.48) CYP2C9CYP2C19CYP2D6CYP19A1CYP3A4
SCHEMBL21156909 0.77 RARB (0.50) RARBCYP2C9CYP2C19CYP2D6CYP19A1

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 3457/4885CYP2C9 346/4885CYP2C19 90/4885

“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.