SCHEMBL22955375

SCHEMBL22955375

CCCCCCSC(=O)C(C)(C)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.42
HSD17B10 Q99714 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
CES1 P23141 7/20 0.42
FAAH O00519 4/20 0.42
PLA2G6 O60733 1/20 0.42
ACHE P22303 3/20 0.40
EPHX1 P07099 2/20 0.39
PPARG P37231 4/20 0.35
PPARD Q03181 4/20 0.35
PPARA Q07869 4/20 0.35
TSHR P16473 3/20 0.35
GPR84 Q9NQS5 3/20 0.35
HDAC11 Q96DB2 3/20 0.35

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
SCHEMBL22956016 1.00 CES2 (0.42) CES2HSD17B10GMNNTP53POLB
SCHEMBL12695618 0.92 NOS3 (0.40) CES2HSD17B10GMNNTP53POLB
SCHEMBL22951385 0.83 CES2 (0.45) CES2HSD17B10GMNNTP53POLB
SCHEMBL31026388 0.83 CES2 (0.45) CES2HSD17B10GMNNTP53POLB
SCHEMBL3869805 0.83 CES2 (0.45) CES2HSD17B10GMNNTP53POLB
SCHEMBL22951375 0.83 CES2 (0.45) CES2HSD17B10GMNNTP53POLB
SCHEMBL22951373 0.83 CES2 (0.45) CES2HSD17B10GMNNTP53POLB
SCHEMBL9949444 0.82 FAAH (0.56) CES2HSD17B10CES1FAAHPLA2G6
SCHEMBL3864583 0.81 CES2 (0.42) CES2HSD17B10GMNNTP53POLB
SCHEMBL26711078 0.79 KMT2A (0.46) CES2HSD17B10MAPTCES1FAAH

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-20210032229-A1 PYRIDINE 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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 CES2 447/4885HSD17B10 922/4885GMNN 897/4885

“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.