SCHEMBL22853020

SCHEMBL22853020

CC(C)(C)[Si](c1ccc(C#N)cc1)(c1ccc(C#N)cc1)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.47
▸ CYP2A6 P11509 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP11B2 P19099 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CYP19A1 P11511 4/20 0.40
▸ LOXL2 Q9Y4K0 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ MMP3 P08254 1/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36

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
SCHEMBL22853021 0.75 CLK4 (0.42) ALDH1A1TSHRENPP2
SCHEMBL1161032 0.73 CYP2A6 (0.52) KIF11CYP2A6ALDH1A1CYP11B2CA12
SCHEMBL10389395 0.73 CYP2A6 (0.52) KIF11CYP2A6ALDH1A1CA12CA2
SCHEMBL22853382 0.72 KIF11 (0.68) KIF11CYP2A6ALDH1A1CYP19A1TSHR
SCHEMBL18322221 0.72 CYP2A6 (0.50) KIF11CYP2A6ALDH1A1CYP11B2CA12
SCHEMBL516605 0.71 KIF11 (0.55) KIF11CYP2A6ALDH1A1CA12CA2
Water SCHEMBL28254092 0.71 CA2 (0.69) KIF11CYP2A6ALDH1A1CA12CA2
SCHEMBL2503454 0.71 CA2 (0.69) KIF11CYP2A6ALDH1A1CA12CA2
SCHEMBL45942 0.71 CA2 (0.69) KIF11CYP2A6ALDH1A1CA12CA2
Water SCHEMBL28189314 0.71 CA2 (0.69) KIF11CYP2A6ALDH1A1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11832510-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-11-28 — — US disclosed
US-20200411775-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-12-31 — — 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 (2 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-11832510-B2 Organic electroluminescent materials and devices OSBP, OCIAD2, OCIAD1 KIF11 2437/4885CYP2A6 2430/4885ALDH1A1 526/4885
US-20200411775-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBP, OCIAD2, OCIAD1 KIF11 2437/4885CYP2A6 2430/4885ALDH1A1 526/4885

“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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