SCHEMBL5454280

SCHEMBL5454280

CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)O)C1(CC)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
TRPC5 Q9UL62 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 2/20 0.40
CNR1 P21554 2/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 2/20 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
SCHEMBL4758273 0.79 CNR1 (0.39) ALDH1A1MAPK1CNR1KMT2AMEN1
SCHEMBL3027638 0.73 GAA (0.59) CYP19A1TRPC5TDP1ALDH1A1CYP2C19
SCHEMBL4758299 0.72 LMNA (0.42) TDP1ALDH1A1CYP2C19TSHRKMT2A
SCHEMBL4755336 0.66 LMNA (0.42) ALDH1A1HPGDKMT2ALMNA
SCHEMBL14710358 0.66 OPRM1 (0.53) CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL23580189 0.65 ELANE (0.54) CYP19A1TRPC5ALDH1A1MAPK1CYP2C19
SCHEMBL11451541 0.65 GAA (0.53) ALDH1A1CYP2C19TSHRHPGDCYP3A4
SCHEMBL4758575 0.64 OPRM1 (0.39) TSHR
SCHEMBL4757277 0.64 TSHR (0.34) ALDH1A1TSHRLMNA
SCHEMBL4746788 0.62 ALDH1A1 (0.60) TRPC5ALDH1A1MAPK1CYP2C19TSHR

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 CYP19A1 2563/4885TRPC5 1050/4885TDP1 2224/4885

“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.