SCHEMBL4158606

SCHEMBL4158606

CCCN(c1cc(-c2ccccc2)ccc1C)P(=O)(O)S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GGPS1 O95749 2/20 0.39
ESR1 P03372 2/20 0.38
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
KCNA5 P22460 4/20 0.36
KCNN4 O15554 2/20 0.36
KDM4E B2RXH2 1/20 0.35
AGTR1 P30556 1/20 0.35
PTPN5 P54829 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL394801 0.75 KCNA5 (0.47) ALDH1A1HTTESR1KCNA5KCNN4
SCHEMBL24794314 0.67 TAAR1 (0.41) ALDH1A1GAAL3MBTL1LMNAHTT
Biphenyl SCHEMBL10731115 0.65 HPGD (0.48) ALDH1A1SMN1; SMN2L3MBTL1GGPS1HPGD
Biphenyl SCHEMBL3467154 0.64 ACP3 (0.54) ALDH1A1PTPN5NPC1RAB9A
Biphenyl SCHEMBL8373931 0.64 ACP3 (0.54) ALDH1A1PTPN5NPC1RAB9A
SCHEMBL13580187 0.64 TDP1 (0.35) ALDH1A1SMN1; SMN2L3MBTL1HTTESR1
SCHEMBL24774796 0.63 CHKA (0.40)
SCHEMBL26785956 0.63 TNKS2 (0.37) ALDH1A1GAAL3MBTL1LMNAHTT
SCHEMBL22992268 0.63 TNKS2 (0.37) ALDH1A1GAAL3MBTL1LMNAHTT
Biphenyl SCHEMBL27438624 0.62 ACP3 (0.54) ALDH1A1GAASMN1; SMN2L3MBTL1HPGD

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-20090215760-A1 SYNERGISTIC INSECTICIDE MIXTURES BAYER CROPSCIENCE AG (DE) 2009-08-27 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-20090215760-A1 SYNERGISTIC INSECTICIDE MIXTURES DDT, TRHDE, PPIE ALDH1A1 3924/4885GAA 4393/4885SMN1; SMN2 2971/4885

“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.