SCHEMBL21969982

SCHEMBL21969982

Bc1c(Oc2ccccc2)c(Oc2ccccc2)c(Br)c(Oc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.33
RHEB Q15382 2/20 0.33
RIPK1 Q13546 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CA4 P22748 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
SCHEMBL16890420 0.89 LTA4H (0.58) LTA4HTSHRKDM4EGLAMAPT
SCHEMBL9988281 0.81 LTA4H (0.55) LTA4HTSHRKDM4EGLAMAPT
SCHEMBL10592307 0.79 LTA4H (0.58) LTA4HTSHRKDM4EGLAMAPT
SCHEMBL49366 0.77 LTA4H (0.55) LTA4HTSHRKDM4EGLAMAPT
SCHEMBL17273646 0.72 LTA4H (0.73) LTA4HTSHRKDM4EGLAMAPT
SCHEMBL4016558 0.72 LTA4H (0.50) LTA4HTSHRKDM4EGLAMAPT
SCHEMBL24043217 0.69 KDM4E (0.41) LTA4HTSHRKDM4EGLAMAPT
SCHEMBL4010724 0.68 ALOX15 (0.49) LTA4HTSHRKDM4EGLAMAPT
SCHEMBL28552141 0.67 LTA4H (0.55) LTA4HTSHRKDM4EGLAMAPT
SCHEMBL6743011 0.67 LTA4H (0.42) LTA4HTSHRKDM4EGLAMAPT

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-20200144515-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-05-07 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-20200144515-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 LTA4H 4030/4885TSHR 4594/4885KDM4E 1365/4885

“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.