SCHEMBL6739632

SCHEMBL6739632

CC(C)COC(=O)C(C)C[S]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 5/20 0.41
P2RX4 Q99571 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 3/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL6741133 0.82 ALDH1A1 (0.42) TSHRALDH1A1P2RX4SMN1; SMN2TDP1
SCHEMBL8954837 0.78 TSHR (0.46) TSHRALDH1A1P2RX4SMN1; SMN2TDP1
SCHEMBL6744319 0.78 TSHR (0.46) TSHRALDH1A1P2RX4SMN1; SMN2TDP1
SCHEMBL5665924 0.78
SCHEMBL1171356 0.78 TSHR (0.46) TSHRALDH1A1P2RX4SMN1; SMN2TDP1
SCHEMBL7218084 0.78 TSHR (0.46) TSHRALDH1A1P2RX4SMN1; SMN2TDP1
SCHEMBL6744316 0.78 TSHR (0.46) TSHRALDH1A1P2RX4SMN1; SMN2TDP1
SCHEMBL24242053 0.76 TSHR (0.45) TSHRALDH1A1P2RX4SMN1; SMN2TDP1
SCHEMBL16466729 0.76 TSHR (0.45) TSHRALDH1A1P2RX4SMN1; SMN2TDP1
SCHEMBL6739634 0.76 TSHR (0.45) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 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 (3 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-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 TSHR 762/4885ALDH1A1 142/4885P2RX4 925/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 TSHR 1003/4885ALDH1A1 171/4885P2RX4 498/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 TSHR 706/4885ALDH1A1 15/4885P2RX4 267/4885

“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.