SCHEMBL6818375

SCHEMBL6818375

Brc1ccccc1CN1CCCCC1.[Zn]

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
TSHR P16473 3/20 0.69
RECQL P46063 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
CYP2A13 Q16696 1/20 0.66
ATM Q13315 1/20 0.55
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.51
HTR6 P50406 1/20 0.51
FAAH O00519 1/20 0.50
CHRNA7 P36544 1/20 0.49
GFER P55789 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL18356563 0.98 ALDH1A1 (0.71) ALDH1A1TSHRRECQLL3MBTL1CYP2A13
SCHEMBL7447200 0.96 CYP2A13 (0.70) ALDH1A1TSHRRECQLL3MBTL1CYP2A13
SCHEMBL11194277 0.83 ALDH1A1 (0.73) ALDH1A1TSHRRECQLL3MBTL1KDM4E
SCHEMBL6813936 0.81 CYP2A13 (0.96) ALDH1A1TSHRRECQLL3MBTL1CYP2A13
SCHEMBL11822769 0.81 CYP2A13 (0.53) ALDH1A1TSHRRECQLL3MBTL1CYP2A13
SCHEMBL11196594 0.81 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAPOLBCHRNA7
SCHEMBL18190535 0.80 ALDH1A1 (0.70) ALDH1A1TSHRRECQLL3MBTL1CYP2A13
SCHEMBL18190467 0.80 ALDH1A1 (0.51) ALDH1A1TSHRRECQLL3MBTL1CYP2A13
SCHEMBL4764209 0.79 CYP2A13 (0.64) ALDH1A1TSHRRECQLL3MBTL1CYP2A13
SCHEMBL2925269 0.79 CYP2A13 (0.64) ALDH1A1TSHRRECQLL3MBTL1CYP2A13

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-20040224364-A1 Organo-zinc compounds RIEKE METALS, INC. 2004-11-11 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-20040224364-A1 Organo-zinc compounds ZFX, CXXC5, CXXC4 ALDH1A1 2237/4885TSHR 3589/4885RECQL 3184/4885

“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.