SCHEMBL682224

SCHEMBL682224

Cc1cc(C)cc(C(=O)NNC(=O)c2ccc3c(c2C)CCCO3)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.46
NPC1 O15118 9/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
CYP2C19 P33261 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
PLK1 P53350 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX12 P18054 1/20 0.38
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
Chromafenozide SCHEMBL73335 0.80 ABCB1 (0.56) CYP2C19CYP3A4
SCHEMBL7121475 0.80 ABCB1 (0.48) CYP3A4
SCHEMBL7041343 0.80 MTNR1A (0.36) RAB9ANPC1ALDH1A1MAPTCYP2C19
Hydrochloric Acid SCHEMBL8876046 0.79 MTNR1A (0.35) RAB9ANPC1ALDH1A1MAPTCYP2C19
SCHEMBL7130710 0.77 NPC1 (0.38) RAB9ANPC1ALDH1A1MAPTCYP2C19
SCHEMBL7476564 0.76 SMN1; SMN2 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2CTNNB1
SCHEMBL7475290 0.75 NPC1 (0.33) RAB9ANPC1ALDH1A1MAPTCYP2C19
SCHEMBL7478893 0.74 CTNNB1 (0.40) RAB9ANPC1ALDH1A1MAPTCYP2C19
SCHEMBL7474498 0.71 NPC1 (0.33) RAB9ANPC1ALDH1A1MAPTCYP2C19
SCHEMBL9253142 0.70 NPC1 (0.34) RAB9ANPC1ALDH1A1MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275583-A1 Synergistic active compound combinations BAYER CROPSCIENCE AG (DE) 2011-11-10 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-20110275583-A1 Synergistic active compound combinations ACHE, ACAT2, ACAT1 RAB9A 196/4885NPC1 210/4885ALDH1A1 1772/4885

“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.