SCHEMBL25467910

SCHEMBL25467910

CCCc1cnccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 3/20 0.41
CYP2C8 P10632 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2A6 P11509 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2B6 P20813 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
RPS6KA3 P51812 1/20 0.38
AOC1 P19801 3/20 0.35
AOC3 Q16853 3/20 0.35
LIMK1 P53667 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
F2RL1 P55085 3/20 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
SCHEMBL827231 0.89 TDP1 (0.40) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL10188339 0.84 LMNA (0.41) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL6911269 0.78 AOC1 (0.51) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL14485323 0.78 RPS6KA3 (0.39) RPS6KA3AOC1AOC3KDM4C
SCHEMBL5106106 0.78 RPS6KA3 (0.42) CYP2A6RPS6KA3AOC1AOC3KDM4C
SCHEMBL10954433 0.77 CYP2E1 (0.51) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL9587755 0.76 LMNA (0.40) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL20959793 0.76 SLC6A2 (0.42) CYP2D6CYP2A6CYP2C9CYP2C19CYP3A4
SCHEMBL18858524 0.74 CYP2E1 (0.43) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL24426028 0.74 CYP2E1 (0.43) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9

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-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 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-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 CYP2E1 2101/4885CYP2C8 666/4885CYP2D6 1755/4885

“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.