SCHEMBL752139

SCHEMBL752139

Cc1cc(-c2ccc(C(C)(C)C)cc2)c(C)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
DGAT1 O75907 2/20 0.44
ALDH1A1 P00352 6/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL25094708 0.78 NPC1 (0.45) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL23040384 0.77 KIF11 (0.45) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL9796315 0.76 TSHR (0.39) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL27635537 0.76 DHFR (0.49) ALDH1A1TSHRCYP3A4TDP1MAPK1
SCHEMBL29911234 0.75 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL23432313 0.75 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL24174951 0.74 TSHR (0.50) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL31442833 0.74 TSHR (0.40) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL16353210 0.74 KIF11 (0.39) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL4020774 0.74 DGAT1 (0.51) NPC1RAB9ATP53SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926706-B1 PESTICIDE BI-PHENYL-AMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-03-21 EP disclosed
EP-1926706-B1 PESTICIDE BI-PHENYL-AMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-03-21 EP disclosed
US-7999137-B2 Pesticide bi-phenyl-amidine derivatives BAYER CROPSCIENCE AG (DE) 2011-08-16 US disclosed
US-7999137-B2 Pesticide bi-phenyl-amidine derivatives BAYER CROPSCIENCE AG (DE) 2011-08-16 US disclosed
US-7999137-B2 Pesticide bi-phenyl-amidine derivatives BAYER CROPSCIENCE AG (DE) 2011-08-16 US disclosed
US-20080280992-A1 Pesticide Bi-Phenyl-Amidine Derivatives BAYER CROPSCIENCE AG (DE) 2008-11-13 US disclosed
US-20080280992-A1 Pesticide Bi-Phenyl-Amidine Derivatives BAYER CROPSCIENCE AG (DE) 2008-11-13 US disclosed
US-20080280992-A1 Pesticide Bi-Phenyl-Amidine Derivatives BAYER CROPSCIENCE AG (DE) 2008-11-13 US disclosed
EP-1926706-A2 PESTICIDE BI-PHENYL-AMIDINE DERIVATIVES Bayer CropScience AG (DE) 2008-06-04 EP disclosed
WO-2007031512-A2 PESTICIDE BI-PHENYL-AMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-03-22 WO disclosed
WO-2007031512-A2 PESTICIDE BI-PHENYL-AMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-03-22 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-20080280992-A1 Pesticide Bi-Phenyl-Amidine Derivatives DDT, BCHE, PFAS NPC1 2746/4885RAB9A 667/4885TP53 3500/4885

“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.