SCHEMBL26179221

SCHEMBL26179221

CC(C)(C)c1cc(C#N)c(C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
AR P10275 6/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3678055 0.78 CA2 (0.43) GABRA1GABRB2POLBHSP90AA1MEN1
SCHEMBL31386607 0.78 CA2 (0.43) GABRA1GABRB2POLBHSP90AA1MEN1
SCHEMBL16281762 0.78 KIF11 (0.33) KIF11ARGABRA1GABRB2
SCHEMBL19505052 0.78 TRPV4 (0.34) KIF11ARGABRA1GABRB2
SCHEMBL7136246 0.78 GABRA1 (0.43) GABRA1GABRB2POLBHSP90AA1ALDH1A1
SCHEMBL13688743 0.76 MAPK14 (0.37) ARALDH1A1TSHR
SCHEMBL11806983 0.74 CYP2C19 (0.33) KIF11CYP2C19
SCHEMBL26259693 0.74 KIF11 (0.39) KIF11ARGABRA1GABRB2POLB
SCHEMBL13945796 0.73 KIF11 (0.44) KIF11ARMEN1ALDH1A1GAA
SCHEMBL20780709 0.73 AR (0.49) KIF11ARALDH1A1HPGDALOX15

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-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 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-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF XPO4, OR10J3, EPB41 KIF11 3878/4885AR 1482/4885GABRA1 3999/4885

“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.