SCHEMBL561985

SCHEMBL561985

CCCCCC1CCC(=O)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
HLCS P50747 2/20 0.35
CYP19A1 P11511 5/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL9716566 0.98 CYP1A2 (0.45) CYP1A2HLCSCYP19A1TSHRHTT
SCHEMBL10971582 0.94 CYP1A2 (0.36) CYP1A2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL4333398 0.86 NPC1 (0.36) CYP1A2CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL2690407 0.84 CYP1A2 (0.47) CYP1A2HLCSCYP19A1ALDH1A1EPHX1
SCHEMBL30931491 0.82 CYP1A2 (0.50) CYP1A2HLCSCYP19A1ALDH1A1EPHX1
SCHEMBL4741801 0.82 CYP1A2 (0.50) CYP1A2HLCSCYP19A1ALDH1A1EPHX1
SCHEMBL30931490 0.82 CYP1A2 (0.50) CYP1A2HLCSCYP19A1ALDH1A1EPHX1
SCHEMBL2692573 0.82 CYP1A2 (0.50) CYP1A2HLCSCYP19A1ALDH1A1EPHX1
SCHEMBL30518306 0.82 CYP1A2 (0.50) CYP1A2HLCSCYP19A1ALDH1A1EPHX1
SCHEMBL8025402 0.82 CYP1A2 (0.50) CYP1A2HLCSCYP19A1ALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735322-B2 Herbicides SYNGENTA LIMITED (GB) 2014-05-27 US disclosed
EP-2350034-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2013-08-28 EP disclosed
US-20120035053-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-09 US disclosed
EP-2350034-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-08-03 EP disclosed
WO-2010046194-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-04-29 WO disclosed
US-4803268-A HERBICIDES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1989-02-07 US disclosed
EP-0061669-B1 PROCESS FOR THE PREPARATION OF CYCLOHEXANE-1,3-DIONES, AND SOME BICYCLIC CYCLOHEXANE-1,3-DIONES BASF Aktiengesellschaft (DE) 1984-07-25 EP disclosed
EP-0061669-A1 Process for the preparation of cyclohexane-1,3-diones, and some bicyclic cyclohexane-1,3-diones BASF Aktiengesellschaft (DE) 1982-10-06 EP disclosed
US-4028417-A CARBOXYLIC OR PHOSPHORIC ACID AMIDES, SULFOXIDES OR SULFONES OR POLYOXYALKYLENE SOLVENTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-06-07 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-20120035053-A1 NOVEL HERBICIDES DDT, HCAR3, HPD CYP1A2 470/4885HLCS 1150/4885CYP19A1 537/4885

“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.