SCHEMBL6740281

SCHEMBL6740281

CCCCOC(=O)C(CC)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CA2 P00918 5/20 0.47
CA1 P00915 3/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 4/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 2/20 0.42
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27792613 0.94 NAAA (0.48) ALDH1A1CA2CA1ATMTSHR
SCHEMBL7095797 0.92 NAAA (0.52) ALDH1A1CA2CA1TSHRHCAR2
SCHEMBL1759482 0.89 ALDH1A1 (0.56) ALDH1A1CA2CA1ATMTSHR
SCHEMBL6739058 0.87 CA2 (0.41) ALDH1A1CA2CA1TSHRMAPK1
SCHEMBL4848334 0.87 ALDH1A1 (0.54) ALDH1A1CA2CA1ATMTSHR
SCHEMBL27876415 0.86 CA2 (0.50) ALDH1A1CA2CA1ATMTSHR
SCHEMBL11132482 0.84 ALDH1A1 (0.47) ALDH1A1CA2CA1ATMTSHR
SCHEMBL6740278 0.83 ALDH1A1 (0.50) ALDH1A1CA2CA1ATMTSHR
SCHEMBL1477902 0.83 CA2 (0.68) ALDH1A1CA2CA1ATMTSHR
SCHEMBL7219212 0.83 CA2 (0.57) ALDH1A1CA2CA1ATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113508337-A Photosensitive resin composition, method for producing resist pattern film, and method for producing plated article JSR株式会社 2021-10-15 CN disclosed
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
EP-1335903-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-08-20 EP disclosed
EP-1301483-A1 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-16 EP disclosed
EP-1289970-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
EP-1244635-A2 4-ARYL-1-DIFLUOROMETHOXYIMIDAZOLE BASF AKTIENGESELLSCHAFT (DE) 2002-10-02 EP disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
WO-2002006233-A1 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-01-24 WO disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 WO disclosed
WO-2001049668-A2 4-ARYL-1-DIFLUOROMETHOXYIMIDAZOLES AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-07-12 WO 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 142/4885CA2 511/4885CA1 2224/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 ALDH1A1 171/4885CA2 220/4885CA1 1441/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 ALDH1A1 15/4885CA2 1233/4885CA1 3587/4885

“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.