SCHEMBL21732238

SCHEMBL21732238

BN1CCCCC1Cc1ccc(CC2CCCCN2B)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LTA4H P09960 1/20 0.37
ADRA1D P25100 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KCNH2 Q12809 1/20 0.35
CHIT1 Q13231 1/20 0.35
CHIA Q9BZP6 1/20 0.35
MAPK1 P28482 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
SCHEMBL8273684 0.85 CHI3L1 (0.46) ALDH1A1HRH3KDM4EKCNH2CHIT1
SCHEMBL19786306 0.84 LTA4H (0.38) LTA4HADRA1DADRA1AADRA1BHRH3
SCHEMBL4278447 0.69 CHRNB2 (0.49) ALDH1A1ADRA1DADRA1AADRA1BHRH3
SCHEMBL11486276 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EKCNH2CHIT1CHIA
SCHEMBL10462905 0.68 SPHK2 (0.50) ALDH1A1KDM4EMAPK1
SCHEMBL11486228 0.68 CHRNB2 (0.48) ALDH1A1ADRA1DADRA1AADRA1BHRH3
SCHEMBL11474181 0.68 DRD2 (0.48)
SCHEMBL11473707 0.68 ALDH1A1 (0.49) ALDH1A1
SCHEMBL19828345 0.68 CHRM5 (0.33)
SCHEMBL350911 0.68 HSD11B1 (0.48) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131358-A1 In-Situ Polymer Blend for a Tire SYNTHOS DWORY 7 SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2020-04-30 US disclosed
US-20200071505-A1 IN-SITU POLYMER BLEND FOR A TIRE TRINSEO EUROPE GMBH (CH) 2020-03-05 US disclosed
US-20200055881-A1 MULTIVINYLAMINOSILANES AS BRANCHING AGENTS FOR FUNCTIONALIZED ELASTOMERIC POLYMERS TRINSEO EUROPE GMBH (CH) 2020-02-20 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-20200055881-A1 MULTIVINYLAMINOSILANES AS BRANCHING AGENTS FOR FUNCTIONALIZED ELASTOMERIC POLYMERS PRUNE1, GNE, TERB1 ALDH1A1 2357/4885LTA4H 1141/4885ADRA1D 2201/4885

“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.