SCHEMBL22911528

SCHEMBL22911528

CCCCCCOc1ccc(C#Cc2ccccc2C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
NR5A1 Q13285 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PLA2G4B P0C869 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
FAAH O00519 6/20 0.40

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
SCHEMBL28942158 0.81 LTA4H (0.66) LTA4HNR5A1CHRNB2CHRNB4CHRNA3
SCHEMBL15559300 0.81 NR5A1 (0.66) LTA4HNR5A1TP53TSHRKDM4E
SCHEMBL10300046 0.81 NR5A1 (0.66) LTA4HNR5A1TP53TSHRKDM4E
SCHEMBL28328005 0.79 LTA4H (0.68) LTA4HNR5A1CHRNB2CHRNB4CHRNA3
SCHEMBL16426558 0.77 CYP1A2 (0.49) LTA4HNR5A1TSHRALDH1A1HPGD
SCHEMBL29390021 0.76 NR5A1 (0.59) LTA4HNR5A1TP53TSHRKDM4E
SCHEMBL28329203 0.76 LTA4H (0.48) LTA4HNR5A1CHRNB2CHRNB4CHRNA3
SCHEMBL28942149 0.76 LTA4H (0.66) LTA4HNR5A1CHRNB2CHRNB4CHRNA3
SCHEMBL21340772 0.75 LTA4H (0.37) LTA4HNR5A1CHRNB2CHRNB4CHRNA3
SCHEMBL14882077 0.75 NR5A1 (0.44) LTA4HNR5A1TP53TSHRKDM4E

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-20210017110-A1 POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Board of Regents of the Nevada System Higher Education, on behalf of the University of Nevada, Reno (US) 2021-01-21 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-20210017110-A1 POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AHR, PAH, ALKBH3 LTA4H 2921/4885NR5A1 3000/4885CHRNB2 1629/4885

“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.