SCHEMBL22065113

SCHEMBL22065113

CCc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.40
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CHKA P35790 2/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
TP53 P04637 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL15424279 0.93 PDK2 (0.44) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL22891859 0.93 PDK2 (0.37) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL6372530 0.92 PDK2 (0.41) PDK2NPC1LMNAMAPTRAB9A
SCHEMBL14270756 0.92 PDK2 (0.41) PDK2NPC1LMNAMAPTRAB9A
SCHEMBL10029993 0.92 PDK2 (0.41) PDK2NPC1LMNAMAPTRAB9A
SCHEMBL24904897 0.92 PDK2 (0.41) PDK2NPC1LMNAMAPTRAB9A
SCHEMBL16158382 0.92 PDK2 (0.41) PDK2NPC1LMNAMAPTRAB9A
SCHEMBL22182569 0.92 PDK2 (0.41) PDK2NPC1LMNAMAPTRAB9A
SCHEMBL24904901 0.92 PDK2 (0.41) PDK2NPC1LMNAMAPTRAB9A
SCHEMBL15311370 0.92 PDK2 (0.41) PDK2NPC1LMNAMAPTRAB9A

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-20200185604-A1 COMPOSITION CONTAINING AMINIUM RADICAL CATION DOW GLOBAL TECHNOLOGIES LLC 2020-06-11 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-20200185604-A1 COMPOSITION CONTAINING AMINIUM RADICAL CATION SSR4, DRD4, SLC7A5 PDK2 1937/4885NPC1 3987/4885ALDH1A1 1470/4885

“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.