SCHEMBL22951260

SCHEMBL22951260

CNc1cc(C(C)(C)C)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL23872178 0.82 PKM (0.41) ALOX15KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29014779 0.80 PKM (0.41) ALOX15ALDH1A1
SCHEMBL22951356 0.77 SMN1; SMN2 (0.49) KDM4EGRNSORT1ALDH1A1
SCHEMBL22951235 0.76 L3MBTL1 (0.43) KDM4EGRNSORT1ALDH1A1
SCHEMBL22952685 0.74 CNR1 (0.31) KDM4EGRNSORT1
SCHEMBL821308 0.71 KDM4E (0.52) KDM4EGRNSORT1
SCHEMBL427520 0.71 SMN1; SMN2 (0.37) ALOX15KDM4EGRNSORT1ALDH1A1
SCHEMBL17173647 0.70 KDM4E (0.33) KDM4EGRNSORT1
SCHEMBL21718549 0.70 KDM4E (0.33) KDM4EGRNSORT1
SCHEMBL21719452 0.70 KDM4E (0.33) KDM4EGRNSORT1

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 ALOX15 1979/4885KDM4E 2316/4885GRN 4803/4885

“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.

Send feedback