SCHEMBL6806008

SCHEMBL6806008

NC1=C(Cc2ccccc2)[CH]CC=C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
MPO P05164 1/20 0.34
LTA4H P09960 1/20 0.33
LTB4R Q15722 1/20 0.33
AOC3 Q16853 1/20 0.33
HTR2A P28223 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
SLC6A2 P23975 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL7525635 0.70 MAOB (0.43) MAOAMAOBLTA4HRAB9ASMN1; SMN2
SCHEMBL6991894 0.68 NPC1 (0.46) ALDH1A1MAOAMAOBMPOLTA4H
SCHEMBL7931809 0.63 CALM1 (0.44) CALM1MAOAMAOBLTA4HHTR2A
SCHEMBL6055305 0.62 CALM1 (0.38) CALM1ALDH1A1MAOAMAOBLTA4H
SCHEMBL23880288 0.62 CALM1 (0.55) CALM1ALDH1A1MAOAMAOBLTA4H
SCHEMBL1498780 0.62 CALM1 (0.55) CALM1ALDH1A1MAOAMAOBLTB4R
SCHEMBL2820256 0.62 CALM1 (0.73) CALM1ALDH1A1MAOBLTA4HHTR2A
Diphenylmethane SCHEMBL14763944 0.61 CALM1 (1.00) CALM1ALDH1A1MAOBLTA4HLOXL2
Diphenylmethane SCHEMBL3792579 0.61 CALM1 (1.00) CALM1ALDH1A1MAOBLTA4HLOXL2
Diphenylmethane SCHEMBL4361124 0.61 CALM1 (1.00) CALM1ALDH1A1MAOBLTA4HLOXL2

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-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2004-01-08 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-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PRSS1, SERPINC1, SERPINE1 CALM1 2415/4885ALDH1A1 3078/4885MAOA 482/4885

“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.