SCHEMBL20968236

SCHEMBL20968236

BBCBc1ccc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ CYP2A6 P11509 2/20 0.43
▸ F7 P08709 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ F3 P13726 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RAD51 Q06609 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ IMPDH2 P12268 1/20 0.40
▸ IMPDH1 P20839 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP17A1 P05093 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL7875902 0.72 USP2 (0.55) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL9942515 0.65 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL9095490 0.65 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL5850255 0.64 NPC1 (0.79) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL16760922 0.63 AHR (0.41) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL8666600 0.63 HDAC1 (0.55) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL417223 0.63 AHR (0.48) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL2530865 0.62 GPR84 (0.67) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL5134026 0.62 AHR (0.52) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL7222368 0.62 HDAC1 (0.54) AHRNR4A2CYP2A6F7LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662164-B2 Non-beta lactam antibiotics UNIVERSITY OF NOTRE DAME DU LAC (US) 2020-05-26 — — US disclosed
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC 2019-05-02 — — 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 (2 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-10662164-B2 Non-beta lactam antibiotics OXA1L, O60361, CUTA AHR 1215/4885NR4A2 3396/4885CYP2A6 1219/4885
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS OXA1L, O60361, CUTA AHR 1215/4885NR4A2 3396/4885CYP2A6 1219/4885

“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.

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