SCHEMBL4447304

SCHEMBL4447304

COC(=O)C(C)c1ncccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
FDPS P14324 2/20 0.40
P2RX7 Q99572 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
MT-CO2 P00403 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL31042985 0.82 ALDH1A1 (0.48) ALDH1A1P2RX7HTTL3MBTL1PTGS1
SCHEMBL3741239 0.81 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1NPC1RAB9ACYP1A2
SCHEMBL27667474 0.80 P2RX7 (0.42) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL30563829 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPK1CYP1A2CYP3A4
SCHEMBL8585045 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPK1POLBHTT
SCHEMBL13044588 0.74 ALDH1A1 (0.43) ALDH1A1MAPTHTTNPSR1KMT2A
SCHEMBL29301548 0.74 NOS3 (0.39) SMN1; SMN2MAPK1NPC1RAB9ACYP2D6
SCHEMBL827728 0.73 NOS3 (0.50) NPC1RAB9ACYP2D6MAPTFDPS
SCHEMBL23747295 0.73 L3MBTL1 (0.47) SMN1; SMN2MAPK1NPC1RAB9ACYP1A2
SCHEMBL4924785 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A

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-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor NOVARTIS AG (CH) 2009-05-07 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-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor REN, AGTR1, ADH1A ALDH1A1 161/4885SMN1; SMN2 4687/4885MAPK1 339/4885

“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.