SCHEMBL23026418

SCHEMBL23026418

CC(C)(CC(C)(C)c1cccc(C#N)c1)c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ CYP19A1 P11511 3/20 0.39
▸ ACSS2 Q9NR19 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ PTPN5 P54829 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL18879528 0.90 CNR1 (0.49) KIF11CNR1CNR2CYP19A1ACSS2
SCHEMBL22022449 0.81 KIF11 (0.48) KIF11CNR1CNR2CYP19A1ACSS2
SCHEMBL3435209 0.81 CNR2 (0.46) KIF11CNR1CNR2ACSS2TSHR
SCHEMBL4698316 0.79 CNR2 (0.45) KIF11CNR1CNR2ACSS2ALDH1A1
SCHEMBL22939513 0.78 SHBG (0.55) KIF11CYP19A1ALDH1A1CYP2A6LOXL2
SCHEMBL19040922 0.78 CNR2 (0.53) KIF11CNR1CNR2ACSS2TSHR
SCHEMBL21891465 0.77 KIF11 (0.44) KIF11CNR1CNR2TSHRENPP2
SCHEMBL22432052 0.77 KIF11 (0.46) KIF11CNR1CNR2TSHRENPP2
SCHEMBL4698814 0.77 KIF11 (0.42) KIF11CNR1CNR2ENPP2GLA
SCHEMBL179266 0.76 KIF11 (0.50) KIF11TSHRENPP2GLAPTPN5

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-20210054017-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE IONIS PHARMACEUTICALS INC (US) 2021-02-25 — — 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-20210054017-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE GNE, FUT6, GALNT13 KIF11 1960/4885CNR1 3256/4885CNR2 3864/4885

“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.

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