SCHEMBL6736096

SCHEMBL6736096

CCCCOC(=O)CCCS

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
DNM1 Q05193 1/20 0.55
ALDH1A1 P00352 3/20 0.50
NAAA Q02083 1/20 0.50
HTR2C P28335 1/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ATM Q13315 1/20 0.47
PAM P19021 2/20 0.46
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
MGLL Q99685 1/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL6742895 0.94 DGKA (0.64) DGKADNM1ALDH1A1NAAAHTR2C
SCHEMBL5160794 0.94 DGKA (0.64) DGKADNM1NAAAHTR2CPRSS1
SCHEMBL26871450 0.94 DGKA (0.59) DGKADNM1ALDH1A1NAAAHTR2C
SCHEMBL26871506 0.94 DGKA (0.64) DGKADNM1ALDH1A1NAAAHTR2C
SCHEMBL5829688 0.92 DGKA (0.68) DGKADNM1ALDH1A1NAAAHTR2C
SCHEMBL11243144 0.92 DGKA (0.68) DGKADNM1ALDH1A1NAAAHTR2C
SCHEMBL11412805 0.92 DGKA (0.68) DGKADNM1ALDH1A1NAAAHTR2C
SCHEMBL11176057 0.92 DGKA (0.68) DGKADNM1ALDH1A1NAAAHTR2C
SCHEMBL11705499 0.92 DGKA (0.68) DGKADNM1ALDH1A1NAAAHTR2C
SCHEMBL11704352 0.92 DGKA (0.68) DGKADNM1ALDH1A1NAAAHTR2C

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 DGKA 3704/4885DNM1 1432/4885ALDH1A1 142/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 DGKA 875/4885DNM1 469/4885ALDH1A1 171/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 DGKA 1301/4885DNM1 2332/4885ALDH1A1 15/4885

“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.