SCHEMBL8010602

SCHEMBL8010602

CC(C)(C)OC(=O)C[C@@H](C(=O)O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
EPHX1 P07099 2/20 0.37
CYP2D6 P10635 2/20 0.36
BTK Q06187 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
GAA P10253 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CPN1 P15169 3/20 0.34
CPB2 Q96IY4 3/20 0.34
ALDH1A1 P00352 1/20 0.34
STING1 Q86WV6 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HDAC4 P56524 1/20 0.33
MEN1 O00255 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
SCHEMBL7214614 1.00 CYP2C9 (0.39) CYP2C9CYP2C19HIF1AEPHX1CYP2D6
SCHEMBL1915638 0.98 CYP2C9 (0.41) CYP2C9CYP2C19HIF1AEPHX1CYP2D6
SCHEMBL1915636 0.98 CYP2C9 (0.41) CYP2C9CYP2C19HIF1AEPHX1CYP2D6
SCHEMBL24049739 0.97 BTK (0.39) CYP2C9CYP2C19HIF1AEPHX1CYP2D6
SCHEMBL22035440 0.97 BTK (0.39) CYP2C9CYP2C19HIF1AEPHX1CYP2D6
SCHEMBL25409678 0.97 BTK (0.39) CYP2C9CYP2C19HIF1AEPHX1CYP2D6
SCHEMBL2587506 0.93 STING1 (0.38) CYP2D6HDAC1HDAC6GAAHDAC3
SCHEMBL2587507 0.93 STING1 (0.38) CYP2D6HDAC1HDAC6GAAHDAC3
SCHEMBL15483715 0.93 STING1 (0.38) CYP2D6HDAC1HDAC6GAAHDAC3
SCHEMBL20221370 0.87 EPHX1 (0.37) EPHX1CYP2D6BTKHDAC1HDAC6

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-20210363119-A1 PROTEASOME INHIBITORS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2021-11-25 US disclosed
WO-2000031020-A1 IMPROVED GAMMA AMINO BUTYRIC ACID ANALOGS WARNER-LAMBERT COMPANY (US) 2000-06-02 WO 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-20210363119-A1 PROTEASOME INHIBITORS TP53, CDKN1A, PSME1 CYP2C9 4309/4885CYP2C19 4237/4885HIF1A 2661/4885

“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.