SCHEMBL16406516

SCHEMBL16406516

CCOc1ccc(/C=C/C(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.61
▸ HIF1A Q16665 1/20 0.55
▸ EPAS1 Q99814 1/20 0.55
▸ ESR1 P03372 2/20 0.54
▸ AHR P35869 1/20 0.54
▸ NQO1 P15559 1/20 0.54
▸ MAPT P10636 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50
▸ TUBA4A P68366 1/20 0.50
▸ TUBB4B P68371 1/20 0.50
▸ TUBB3 Q13509 1/20 0.50
▸ TUBB2A Q13885 1/20 0.50

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
SCHEMBL24358700 0.85 AHR (0.57) RELAAHRMAPTPTGS2TUBB4A
SCHEMBL10623831 0.83 RELA (0.83) RELAHIF1AESR1AHRNQO1
SCHEMBL10623834 0.83 RELA (0.83) RELAHIF1AESR1AHRNQO1
SCHEMBL10022771 0.80 PPARA (0.44) AHRMAPTTUBB4ATUBBTUBA3C
SCHEMBL2622560 0.79 RELA (0.70) RELAESR1AHRNQO1MAPT
SCHEMBL25557809 0.79 RELA (0.65) RELAHIF1AEPAS1ESR1AHR
SCHEMBL13267808 0.78 RELA (0.74) RELAESR1AHRNQO1MAPT
SCHEMBL12028758 0.78 KDM4E (0.59) RELAESR1AHRMAPTNPC1
SCHEMBL678598 0.78 KDM4E (0.59) RELAESR1AHRMAPTNPC1
SCHEMBL10601861 0.78 RELA (0.68) RELAESR1AHRNQO1MAPT

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-9198420-B2 Rodenticidal norbormide analogues LANDCARE RESEARCH NEW ZEALAND LIMITED (NZ) 2015-12-01 — — US disclosed
US-20150025113-A1 RODENTICIDAL NORBORMIDE ANALOGUES ANIMAL CONTROL PRODUCTS LIMITED (NZ) 2015-01-22 — — 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-20150025113-A1 RODENTICIDAL NORBORMIDE ANALOGUES CASP7, RANBP1, CASP3 RELA 4570/4885HIF1A 4794/4885EPAS1 4861/4885

“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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