SCHEMBL7754535

SCHEMBL7754535

OC(=S)c1c(O)cccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
BCL2L1 Q07817 1/20 0.58
HSD17B10 Q99714 1/20 0.58
BACE1 P56817 3/20 0.48
ALOX5 P09917 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HNF4A P41235 1/20 0.41
HDAC4 P56524 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.40
SMARCA2 P51531 1/20 0.40

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
SCHEMBL2018617 0.79 HNF4A (0.46) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL3264678 0.79 CA12 (0.64) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL975812 0.76 BCAT2 (0.55) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL7754530 0.76 ALDH1A1 (0.54) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL15509403 0.76 THRB (0.63) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL7755632 0.76 ALDH1A1 (0.44) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL28366972 0.74 ALDH1A1 (1.00) ALDH1A1HPGDBCL2L1HSD17B10BACE1
2-Phenylphenol SCHEMBL14249267 0.74 ALDH1A1 (1.00) ALDH1A1HPGDBCL2L1HSD17B10BACE1
2-Phenylphenol SCHEMBL29360750 0.74 ALDH1A1 (1.00) ALDH1A1HPGDBCL2L1HSD17B10BACE1
2-Phenylphenol SCHEMBL29811 0.74 ALDH1A1 (1.00) ALDH1A1HPGDBCL2L1HSD17B10BACE1

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-20010029239-A1 New herbicidal compositions CRAMP MICHAEL COLIN (GB) 2001-10-11 US disclosed
WO-2001047863-A2 NEW HERBICIDAL COMPOSITIONS AVENTIS CROPSCIENCE SA (FR) 2001-07-05 WO disclosed
US-5100458-A Pyrimidine substituted, plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 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-20010029239-A1 New herbicidal compositions DDT, CYP1B1, CYP4X1 ALDH1A1 39/4885HPGD 1856/4885BCL2L1 301/4885

“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.