SCHEMBL9946099

SCHEMBL9946099

CB(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CRHBP P24387 1/20 0.42
ATM Q13315 1/20 0.42
CRHR2 Q13324 1/20 0.42
TLR9 Q9NR96 1/20 0.42
APP P05067 3/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL8966292 0.82 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL12333623 0.79 ALDH1A1 (0.72) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL13721260 0.79 ALDH1A1 (0.72) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL6123843 0.79 ALDH1A1 (0.72) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL17087772 0.79 ALDH1A1 (0.72) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL302043 0.79 ALDH1A1 (0.72) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL36869 0.79 ALDH1A1 (0.72) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL2389596 0.79 ALDH1A1 (0.72) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL13720763 0.79 ALDH1A1 (0.72) ALDH1A1MAPTL3MBTL1TDP1KDM4E
SCHEMBL12386343 0.79 ALDH1A1 (0.72) ALDH1A1MAPTL3MBTL1TDP1KDM4E

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ALDH1A1 4010/4885MAPT 2718/4885L3MBTL1 4393/4885

“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.