SCHEMBL6735576

SCHEMBL6735576

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
LMNA P02545 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CA1 P00915 3/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 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
SCHEMBL6738201 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HCAR2LMNACA1
SCHEMBL3905507 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AHCAR2
SCHEMBL6735471 0.83 HCAR2 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AHCAR2
SCHEMBL6742886 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6740314 0.81 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AHCAR2
SCHEMBL7218218 0.81 CA1 (0.47) ALDH1A1CA1TSHRTDP1CA2
SCHEMBL6740311 0.81 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AHCAR2
SCHEMBL27756272 0.79 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AHCAR2
SCHEMBL9507495 0.79 HSD17B10 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AHCAR2
SCHEMBL11584837 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AHCAR2

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 142/4885SMN1; SMN2 4034/4885MEN1 4560/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 ALDH1A1 171/4885SMN1; SMN2 4597/4885MEN1 3968/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 ALDH1A1 15/4885SMN1; SMN2 3755/4885MEN1 3914/4885

“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.