SCHEMBL24944391

SCHEMBL24944391

CC(C)(C)c1ccc2cc(C(C)(C)C)n(C3CCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD11B1 P28845 6/20 0.33
ACHE P22303 1/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL21341332 0.94 HSD11B1 (0.36) ALDH1A1SMN1; SMN2LMNAHPGDXBP1
SCHEMBL21341468 0.84 KCNH2 (0.32) KCNH2
SCHEMBL21341400 0.83 TRPV4 (0.35) HSD11B1
SCHEMBL21341469 0.81 HSD11B1 (0.45) HSD11B1KCNH2
SCHEMBL24630639 0.81 OPRM1 (0.37) ALDH1A1SMN1; SMN2LMNAHPGDXBP1
SCHEMBL21341396 0.81 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNAHPGDXBP1
SCHEMBL8248884 0.80 TP53 (0.43) ALDH1A1SMN1; SMN2LMNAXBP1MEN1
SCHEMBL21341398 0.77 HSD11B1 (0.32) ALDH1A1SMN1; SMN2HSD11B1KCNH2KDM4E
SCHEMBL24944393 0.75 OPRM1 (0.35) ALDH1A1SMN1; SMN2LMNAHPGDXBP1
SCHEMBL24630642 0.72

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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ALDH1A1 4501/4885SMN1; SMN2 2820/4885LMNA 1748/4885

“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.