SCHEMBL5458967

SCHEMBL5458967

CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1(CC)c1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALOX5 P09917 5/20 0.38
PTGES O14684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
TDP2 O95551 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
FPR2 P25090 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4758585 0.77 FPR2 (0.37) MAPTSMN1; SMN2ALDH1A1POLBFPR2
SCHEMBL5452071 0.75 ABCC1 (0.43) MAPTALDH1A1NPSR1CYP1A2CYP2C19
SCHEMBL3032095 0.69 MTOR (0.53) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL719657 0.68 DGAT1 (0.54) ALOX5PTGESSMN1; SMN2ALDH1A1GABRA1
SCHEMBL4757298 0.68 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1FPR2MEN1KMT2A
Hydrochloric Acid SCHEMBL31426389 0.67 DGAT1 (0.53) ALOX5PTGESSMN1; SMN2ALDH1A1GABRA1
SCHEMBL3030379 0.67 MTOR (0.53) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL961701 0.65 ALDH1A1 (0.52) ALOX5PTGESSMN1; SMN2ALDH1A1GABRA1
SCHEMBL12185589 0.65 OPRM1 (0.41) MAPTALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL4089582 0.64 KMT2A (0.39) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB

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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 MAPT 19/4885ALOX5 3023/4885PTGES 1421/4885

“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.