SCHEMBL10195648

SCHEMBL10195648

CC1(C)OC(C)(C)C(O)=C(c2cc(Oc3cnc4ccccc4n3)ccc2C2CC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 10/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RHOA P61586 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL10195481 0.90 CYP1A2 (0.38) CYP1A2CYP2C19CYP2C9HTTALDH1A1
SCHEMBL10195659 0.90 MEN1 (0.35) HTTMEN1KMT2AL3MBTL1
SCHEMBL10195281 0.84 HTT (0.41) CYP1A2CYP2C19CYP2C9HTTMEN1
SCHEMBL10195642 0.81 CYP1A2 (0.40) CYP1A2CYP2C19SMN1; SMN2CYP3A4
SCHEMBL10195528 0.81 PDE4B (0.33)
SCHEMBL10195619 0.78 MAOB (0.32) KDM4E
SCHEMBL10195606 0.78 MAOB (0.37) MEN1KMT2ALMNA
SCHEMBL10195617 0.78 SLC6A2 (0.35)
SCHEMBL10195611 0.78 MAOB (0.39) HTTALDH1A1RAB9ANPC1HPGD
SCHEMBL10195641 0.78 MAPK1 (0.45) CYP2C9ALDH1A1RAB9ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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 (2 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CYP1A2 11/4885CYP2C19 97/4885CYP2C9 23/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CYP1A2 67/4885CYP2C19 601/4885CYP2C9 249/4885

“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.