SCHEMBL5523455

SCHEMBL5523455

Cc1cc(C)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C)c2)[C@@H]2CCCN2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL3008935 1.00 KDM4E (0.38) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326343 0.92 TACR1 (0.37) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL15281108 0.91 TACR1 (0.38) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL15248772 0.91 TACR1 (0.38) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL14365129 0.91 TACR1 (0.38) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326849 0.86 KDM4E (0.43) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326340 0.85 CYP1A2 (0.41) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL3006875 0.84 TACR1 (0.41) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL1262080 0.84 TACR1 (0.41) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL1262083 0.84 TACR1 (0.41) KDM4ENPC1CYP1A2CYP2D6HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CHEMINOVA A/S (DK) 2007-11-29 US disclosed
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CHEMINOVA A/S (DK) 2007-11-29 US disclosed
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CHEMINOVA A/S (DK) 2007-11-29 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-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CBR1, CBR3, HAO1 KDM4E 3878/4885NPC1 1457/4885CYP1A2 55/4885

“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.