SCHEMBL22952525

SCHEMBL22952525

CCCCCCOC(=O)C(C)(C)CCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 6/20 0.43
DGKA P23743 1/20 0.42

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
SCHEMBL19359757 1.00 NAAA (0.52) NAAACYP4F2CYP4A11EPHX1TSHR
SCHEMBL20834121 1.00 NAAA (0.52) NAAACYP4F2CYP4A11EPHX1TSHR
SCHEMBL22440467 0.98 NAAA (0.48) NAAACYP4F2CYP4A11EPHX1TSHR
Hydrochloric Acid SCHEMBL9119589 0.96 NAAA (0.48) NAAACYP4F2CYP4A11EPHX1TSHR
SCHEMBL23581670 0.92 CYP4F2 (0.58) NAAACYP4F2CYP4A11EPHX1TSHR
SCHEMBL4809511 0.92 CYP4F2 (0.58) NAAACYP4F2CYP4A11EPHX1TSHR
SCHEMBL6686460 0.92 CYP4F2 (0.58) NAAACYP4F2CYP4A11EPHX1TSHR
SCHEMBL1490324 0.92 CYP4F2 (0.58) NAAACYP4F2CYP4A11EPHX1TSHR
SCHEMBL4809521 0.92 CYP4F2 (0.58) NAAACYP4F2CYP4A11EPHX1TSHR
SCHEMBL29146085 0.92 CYP4F2 (0.58) NAAACYP4F2CYP4A11EPHX1TSHR

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-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 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-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 NAAA 1797/4885CYP4F2 74/4885CYP4A11 123/4885

“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.