SCHEMBL26359463

SCHEMBL26359463

COC(=O)C1CC(C)(C)CC(C)(C)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
CNR2 P34972 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL21618277 0.91 ALDH1A1 (0.46) ALDH1A1MAPTTSHRKDM4EPOLB
SCHEMBL1958200 0.91 ALDH1A1 (0.46) ALDH1A1MAPTTSHRKDM4EPOLB
SCHEMBL523318 0.81 MAPT (0.41) ALDH1A1MAPTTSHRKDM4EPOLB
SCHEMBL855428 0.77 PSEN1 (0.43) ALDH1A1MAPTTSHRKDM4EPOLB
Acetic Acid SCHEMBL28452088 0.77 MAPT (0.38) ALDH1A1MAPTTSHRKDM4EPOLB
Hexane SCHEMBL28194938 0.76 DNTT (0.39) ALDH1A1MAPTTSHRKDM4EPOLB
SCHEMBL30015560 0.75 CYP1A2 (0.34) ALDH1A1MAPTTSHRKDM4EPOLB
SCHEMBL857663 0.74 ALDH1A1 (0.49) ALDH1A1MAPTTSHRKDM4EPOLB
SCHEMBL3397062 0.72 KMT2A (0.32) TSHRKMT2ACYP1A2HIF1A
SCHEMBL31756478 0.71 KDM4E (0.33) ALDH1A1MAPTKDM4EKMT2AGAA

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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 ALDH1A1 401/4885MAPT 4409/4885TSHR 4245/4885

“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.