SCHEMBL2993701

SCHEMBL2993701

Cc1cc(-c2ccccc2)cc(C)c1C1C(=O)CC2(CCOCC2)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
BRD4 O60885 1/20 0.33
TNKS2 Q9H2K2 1/20 0.31
CYP11B2 P19099 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LRRK2 Q5S007 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KIF11 P52732 1/20 0.31
HSD11B1 P28845 1/20 0.30
PRKDC P78527 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
GSK3A P49840 1/20 0.30
CTSC P53634 1/20 0.30
EPHX1 P07099 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL21361213 0.83 CYP11B2 (0.32) CYP11B2ALDH1A1
SCHEMBL15839604 0.76 CYP11B2 (0.31) CYP11B2
SCHEMBL10079522 0.73 EHMT2 (0.35) SMN1; SMN2BRD4CYP11B2LRRK2KDM4E
SCHEMBL2991364 0.71 MEN1 (0.32) HSD17B10
SCHEMBL21361308 0.71 USP2 (0.48) SMN1; SMN2ALDH1A1HSD17B10HSD11B1HPGD
SCHEMBL6727519 0.69 BRD4 (0.34) BRD4HSD11B1
SCHEMBL18874245 0.69 BRD4 (0.34) BRD4HSD11B1
SCHEMBL17302851 0.69
SCHEMBL12239274 0.69 HDAC3 (0.32) BRD4HDAC3HDAC1HDAC2
SCHEMBL21361217 0.69 CNR1 (0.38) TNKS2HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084649-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-20100173774-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-07-08 US disclosed
EP-2121584-A2 NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-11-25 EP disclosed
WO-2008110308-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 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 (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-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD SMN1; SMN2 4024/4885BRD4 1416/4885TNKS2 4479/4885

“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.