SCHEMBL6803510

SCHEMBL6803510

Cn1cccc1C1(CNCc2ccc(O)cc2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.36
SCN8A Q9UQD0 1/20 0.35
ADRB2 P07550 2/20 0.34
HTT P42858 1/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
SLC6A4 P31645 1/20 0.33
KMT2A Q03164 1/20 0.32
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL6808948 0.76 ALDH1A1 (0.43) ALDH1A1ADRB2HTTSLC6A4KMT2A
SCHEMBL6804377 0.74 LTA4H (0.33) ALDH1A1POLBSCN8AADRB2HTT
SCHEMBL6799556 0.73 NPC1 (0.45) ALDH1A1KMT2AESR1
SCHEMBL6802473 0.72 OPRM1 (0.47) ALDH1A1ADRB2HTT
SCHEMBL6807682 0.71 SLC6A4 (0.41) ALDH1A1SLC6A4
SCHEMBL6802528 0.70 DPP7 (0.35) ALDH1A1POLBSCN8AADRB2HTT
SCHEMBL6802801 0.70 KCNA3 (0.43) ALDH1A1ADRB2HTTSLC6A4HDAC8
SCHEMBL6807671 0.70 DPP4 (0.47) SLC6A4
SCHEMBL11230906 0.67 ADRB2 (0.44) ALDH1A1ADRB2HTTHDAC6CA1
SCHEMBL6202623 0.66 ADRB2 (0.38) ALDH1A1ADRB2HTTSLC6A4KMT2A

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-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR ALDH1A1 3777/4885POLB 4617/4885SCN8A 698/4885

“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.