SCHEMBL684309

SCHEMBL684309

CC(Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.48
RXFP1 Q9HBX9 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ADORA2B P29275 1/20 0.48
TP53 P04637 1/20 0.45
MAOB P27338 2/20 0.44
CASP1 P29466 1/20 0.44
PKM P14618 1/20 0.43
MAOA P21397 1/20 0.43
MAPK1 P28482 1/20 0.43
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL684304 0.88 RXFP1 (0.55) ALDH1A1TSHRRXFP1SMN1; SMN2ADORA2B
SCHEMBL684300 0.88 ALDH1A1 (0.55) ALDH1A1TSHRRXFP1SMN1; SMN2ADORA2B
SCHEMBL683993 0.85 ALDH1A1 (0.53) ALDH1A1TSHRRXFP1SMN1; SMN2ADORA2B
SCHEMBL683913 0.84 RXFP1 (0.55) RXFP1SMN1; SMN2ADORA2BTP53CYP3A4
Fenethylline SCHEMBL149145 0.83 ALDH1A1 (0.65) ALDH1A1TSHRRXFP1SMN1; SMN2ADORA2B
Fenethylline SCHEMBL121386 0.82 ALDH1A1 (0.64) ALDH1A1TSHRRXFP1SMN1; SMN2ADORA2B
Fenethylline SCHEMBL155920 0.82 ALDH1A1 (0.64) ALDH1A1TSHRRXFP1SMN1; SMN2ADORA2B
SCHEMBL683985 0.81 ALOX15 (0.56) ALDH1A1TSHRRXFP1SMN1; SMN2ADORA2B
Fenethylline SCHEMBL14057908 0.79 ALDH1A1 (0.60) ALDH1A1TSHRRXFP1SMN1; SMN2ADORA2B
Fenethylline SCHEMBL1934850 0.79 ALDH1A1 (0.60) ALDH1A1TSHRRXFP1SMN1; SMN2ADORA2B

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ALDH1A1 1565/4885TSHR 1873/4885RXFP1 211/4885

“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.