SCHEMBL6741133

SCHEMBL6741133

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 5/20 0.42
P2RX4 Q99571 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
TDP1 Q9NUW8 3/20 0.31
RAB9A P51151 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL6739632 0.82 TSHR (0.45) ALDH1A1TSHRP2RX4SMN1; SMN2TDP1
SCHEMBL3904364 0.80 TSHR (0.44) ALDH1A1TSHRSMN1; SMN2TDP1MAPT
SCHEMBL6734968 0.80 TSHR (0.44) ALDH1A1TSHRP2RX4SMN1; SMN2PLA2G1B
SCHEMBL6734970 0.80 TSHR (0.44) ALDH1A1TSHRP2RX4SMN1; SMN2PLA2G1B
SCHEMBL6742886 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2L3MBTL1HPGDNPC1
SCHEMBL9509815 0.78 TSHR (0.42) ALDH1A1TSHRSMN1; SMN2PLA2G1BATG4B
SCHEMBL6741137 0.78 TSHR (0.42) ALDH1A1TSHRP2RX4SMN1; SMN2PLA2G1B
SCHEMBL6741283 0.77
SCHEMBL7224114 0.77 CA1 (0.45) ALDH1A1TSHRTDP1L3MBTL1MAPT
SCHEMBL2279794 0.77 TSHR (0.41) ALDH1A1TSHRTDP1RAB9AL3MBTL1

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 ALDH1A1 142/4885TSHR 762/4885P2RX4 925/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 ALDH1A1 171/4885TSHR 1003/4885P2RX4 498/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 ALDH1A1 15/4885TSHR 706/4885P2RX4 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.