SCHEMBL6588342

SCHEMBL6588342

[CH2]CC1CCCCCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA4 P22748 5/20 0.47
CA6 P23280 4/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.33
MCL1 Q07820 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
SCHEMBL6592817 1.00 CA1 (0.47) CA1CA2CA4CA6KMT2A
SCHEMBL6587175 0.98
SCHEMBL6589733 0.91
SCHEMBL6586698 0.83 KDM4E (0.46) CA1CA2CA4CA6KMT2A
SCHEMBL6590997 0.83 KDM4E (0.46) CA1CA2CA4CA6KMT2A
SCHEMBL6590169 0.80
SCHEMBL6590404 0.80 KDM4E (0.47) CA1CA2CA4CA6KMT2A
SCHEMBL6737991 0.79 KDM4E (0.44) CA1CA2CA4CA6KMT2A
SCHEMBL6591958 0.79 KDM4E (0.44) CA1CA2CA4CA6KMT2A
SCHEMBL5918112 0.78 CA1 (0.48) CA1CA2CA4CA6KMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1186342-C Substituted (4-brompyrazole-3-yl) indole BASF AG (DE) 2005-01-26 CN disclosed
EP-0944623-B1 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AG (DE) 2004-09-01 EP disclosed
CN-1145626-C Substituted pyrazole-3-yl benzazoles �����ɷ� 2004-04-14 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-1301483-A1 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-16 EP disclosed
US-6482774-B1 Substituted (4-brompyrazole-3-yl) benzazoles BASF AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed
EP-0915853-B1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AG (DE) 2002-11-06 EP disclosed
EP-1244635-A2 4-ARYL-1-DIFLUOROMETHOXYIMIDAZOLE BASF AKTIENGESELLSCHAFT (DE) 2002-10-02 EP disclosed
EP-0944623-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
EP-0931072-A1 1-SULFONYL-3-PHENYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING OR DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
WO-1999006394-A1 SUBSTITUTED 2-(BENZOARYL)PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed
EP-0862558-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
WO-1998027090-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998012182-A1 1-SULFONYL-3-PHENYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING OR DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO disclosed
WO-1997015559-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 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 CA1 2224/4885CA2 511/4885CA4 1191/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 CA1 1441/4885CA2 220/4885CA4 331/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 CA1 3587/4885CA2 1233/4885CA4 994/4885

“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.