SCHEMBL21999768

SCHEMBL21999768

COc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)C(C)C)cc3)cc2)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.45
ALDH1A1 P00352 3/20 0.45
BACE1 P56817 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
SLC2A1 P11166 1/20 0.44
LTA4H P09960 1/20 0.44
ALOX5 P09917 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
MMP16 P51512 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PTPN1 P18031 1/20 0.42
HPGD P15428 1/20 0.42
ESR2 Q92731 1/20 0.42
SLC6A2 P23975 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
SCHEMBL13338684 0.96 BACE1 (0.49) CA4ALDH1A1BACE1SLC2A1LTA4H
SCHEMBL13408672 0.94 CA4 (0.50) CA4ALDH1A1TRPM8SLC2A1LTA4H
SCHEMBL19049724 0.89 CA4 (0.45) CA4ALDH1A1TRPM8SLC2A1LTA4H
SCHEMBL13338375 0.87 SLC2A1 (0.55) ALDH1A1SLC2A1KDM4ESLC6A4NPC1
SCHEMBL13338819 0.85 CYP1A2 (0.49) ALDH1A1KDM4EESR2NPC1RAB9A
SCHEMBL13338406 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL18594383 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL10971330 0.83 KDR (0.41) ALDH1A1BACE1TRPM8KDM4ENPC1
SCHEMBL11910685 0.82 PTGS2 (0.47) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL27374348 0.81 MAPT (0.44) ALDH1A1SLC2A1ALOX5ESR2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11189808-B2 Platinum complexes and devices ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-11-30 US disclosed
US-20200152891-A1 PLATINUM COMPLEXES AND DEVICES UNIV ARIZONA STATE (US) 2020-05-14 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 (2 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-11189808-B2 Platinum complexes and devices OXA1L, OCIAD1, OCIAD2 CA4 3823/4885ALDH1A1 591/4885BACE1 2989/4885
US-20200152891-A1 PLATINUM COMPLEXES AND DEVICES OXA1L, OCIAD1, OCIAD2 CA4 3823/4885ALDH1A1 591/4885BACE1 2989/4885

“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.