SCHEMBL784068

SCHEMBL784068

COC(=O)c1ncccc1OCc1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
KMT2A Q03164 1/20 0.56
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LRRK2 Q5S007 1/20 0.47
PPIA P62937 2/20 0.47
FFAR1 O14842 1/20 0.46
ABCB1 P08183 1/20 0.46
SMPD1 P17405 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL30893766 0.88 NPC1 (0.62) RAB9ANPC1KMT2AHTR1AADRA1D
SCHEMBL27200112 0.88 NPC1 (0.62) RAB9ANPC1KMT2AHTR1AADRA1D
SCHEMBL784516 0.88 RAB9A (0.62) RAB9ANPC1KMT2AHTR1AADRA1D
SCHEMBL4703778 0.87 KMT2A (0.56) KMT2AL3MBTL1LMNAPPIA
SCHEMBL30503242 0.87 KMT2A (0.56) KMT2AL3MBTL1LMNAPPIA
SCHEMBL1344785 0.86 KMT2A (0.55) RAB9ANPC1KMT2AMAPTL3MBTL1
SCHEMBL784090 0.85 NPC1 (0.53) RAB9ANPC1KMT2AHTR1AADRA1D
SCHEMBL30744966 0.82 NPC1 (0.49) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL871874 0.81 HTT (0.49) RAB9ANPC1KMT2AMAPTLMNA
SCHEMBL15132074 0.80 KMT2A (0.65) RAB9ANPC1KMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071322-A1 Substituted Pyridopyrazines with a Herbicidal Action BASF SE (DE) 2012-03-22 US disclosed
US-20110251063-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION BASF SE (DE) 2011-10-13 US disclosed
WO-2011064188-A1 INSECTICIDAL METHODS USING NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS BASF SE (DE) 2011-06-03 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 (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-20120071322-A1 Substituted Pyridopyrazines with a Herbicidal Action PLPBP, PNPO, PFAS RAB9A 3862/4885NPC1 4846/4885KMT2A 2398/4885
US-20110251063-A1 HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION DDT, KHK, HK1 RAB9A 3291/4885NPC1 4587/4885KMT2A 1360/4885

“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.