SCHEMBL22952852

SCHEMBL22952852

CCCCCCCCSC(=S)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
THRB P10828 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CES2 O00748 1/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
BLM P54132 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ACHE P22303 2/20 0.35
TSHR P16473 2/20 0.35
MGLL Q99685 1/20 0.34
FDPS P14324 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL29001774 0.81 LMNA (0.36) LMNA
SCHEMBL30261803 0.79 LMNA (0.34) LMNA
SCHEMBL10923079 0.78 EPHX1 (0.50) EPHX1THRBHSD17B10CES2GMNN
SCHEMBL17039731 0.78 EPHX1 (0.50) EPHX1THRBHSD17B10CES2GMNN
SCHEMBL31026389 0.78 EPHX1 (0.50) EPHX1THRBHSD17B10CES2GMNN
SCHEMBL4230488 0.77 THRB (0.39) EPHX1THRBHSD17B10CES2GMNN
SCHEMBL27831391 0.77 THRB (0.39) EPHX1THRBHSD17B10CES2GMNN
SCHEMBL35565 0.77 THRB (0.42) EPHX1THRBHSD17B10CES2GMNN
SCHEMBL11170048 0.77 THRB (0.42) EPHX1THRBHSD17B10CES2GMNN
SCHEMBL11289157 0.77 THRB (0.42) EPHX1THRBHSD17B10CES2GMNN

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 EPHX1 204/4885THRB 157/4885HSD17B10 421/4885

“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.