SCHEMBL16233145

SCHEMBL16233145

COc1c(C)cccc1CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
SCN4A P35499 8/20 0.43
LMNA P02545 2/20 0.43
SCN1A P35498 2/20 0.43
SCN5A Q14524 2/20 0.43
SCN9A Q15858 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
NFKB1 P19838 2/20 0.43
SCN8A Q9UQD0 2/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
KCNK3 O14649 1/20 0.43
CACNA1F O60840 1/20 0.43
KCNK2 O95069 1/20 0.43
GBA1 P04062 1/20 0.43
MAOA P21397 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL12884485 0.81 GABRA1 (0.48) GABRA1GABRB2ELANE
SCHEMBL5018903 0.81 GABRA1 (0.48) GABRA1GABRB2CYP1A2CYP3A4CYP2D6
SCHEMBL11100910 0.80 TSHR (0.38) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL4513903 0.80 SCN4A (0.41) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL19386881 0.79 GABRA1 (0.47) GABRA1GABRB2LMNAHTR2ASLC6A4
SCHEMBL17748601 0.79 GABRA1 (0.57) GABRA1GABRB2LMNACYP3A4ELANE
SCHEMBL14983718 0.79 SLC6A2 (0.50) GABRA1GABRB2CYP2D6SLC6A4KCNH2
SCHEMBL13344106 0.78 GABRA1 (0.43) GABRA1GABRB2SCN4ALMNASCN1A
SCHEMBL14874334 0.77 EPHX2 (0.40) LMNATSHR
SCHEMBL16815995 0.76 SMN1; SMN2 (0.40) LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022026823-A1 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2022-02-03 WO disclosed
US-9808447-B2 Inhibitors of Rho associated protein kinases (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-07 US disclosed
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-23 US disclosed
US-9409868-B2 Inhibitors of rho associated protein kinases (ROCK) and methods of use H. Lee Moffin Cancer Center and Research Institute, Inc. (US) 2016-08-09 US disclosed
US-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2014-11-13 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-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT GABRA1 4262/4885GABRB2 4448/4885SCN4A 4720/4885
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT GABRA1 4262/4885GABRB2 4448/4885SCN4A 4720/4885

“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.