SCHEMBL22952835

SCHEMBL22952835

CC(=O)On1ccc(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
HDAC1 Q13547 1/20 0.32
RAB9A P51151 4/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 3/20 0.32
HTT P42858 2/20 0.32
SRD5A2 P31213 1/20 0.32
DHODH Q02127 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PLAU P00749 1/20 0.30
ELANE P08246 1/20 0.30
LMNA P02545 2/20 0.30
TYR P14679 1/20 0.30

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
SCHEMBL21233120 0.75 LMNA (0.38) MAPTALDH1A1KDM4ELMNA
SCHEMBL22952397 0.74 TSHR (0.32) LMNATYR
SCHEMBL22342715 0.70 ALDH1A1 (0.35) TDP1ALDH1A1HPGD
SCHEMBL11667326 0.70 KMT2A (0.42) KMT2ALMNA
SCHEMBL18116955 0.68 LMNA (0.30) LMNA
SCHEMBL12690265 0.66 KCNN4 (0.39) SMN1; SMN2HDAC1RAB9AMAPTNPC1
SCHEMBL253593 0.64
SCHEMBL22951294 0.63 CA12 (0.40) SMN1; SMN2RAB9AMAPTNPC1KMT2A
SCHEMBL21128703 0.63 AKR1B1 (0.50) SMN1; SMN2MAPTSRD5A2ALDH1A1KDM4E
SCHEMBL12690559 0.62 SMN1; SMN2 (0.35) SMN1; SMN2HDAC1RAB9AMAPTNPC1

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 SMN1; SMN2 3292/4885HDAC1 1021/4885RAB9A 1211/4885

“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.