SCHEMBL21629686

SCHEMBL21629686

Cc1cc2cc(-c3ccccc3C(F)(F)F)n(C(=O)OC(C)(C)C)c2cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
NR1H3 Q13133 3/20 0.37
EIF4E P06730 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
SCHEMBL21629673 0.87 EIF4E (0.41) EIF4E
SCHEMBL21629658 0.84 NR1H2 (0.43) NR1H2CA12CA9BRD4CREBBP
SCHEMBL21629666 0.78 NR1H2 (0.47) NR1H2CA12CA9BRD4CREBBP
SCHEMBL9846756 0.77 NR1H2 (0.48) NR1H2CA12CA9BRD4CREBBP
SCHEMBL29891011 0.75 NR1H2 (0.38) NR1H2BRD4CREBBPNR1H3
SCHEMBL22829307 0.75 NR1H2 (0.38) NR1H2BRD4CREBBPNR1H3
SCHEMBL21657932 0.75 TTK (0.47) NR1H2BRD4CREBBPNR1H3
SCHEMBL9846769 0.72 NR1H2 (0.48) NR1H2CA12CA9BRD4CREBBP
SCHEMBL29891226 0.72 NR1H2 (0.41) NR1H2CA12CA9BRD4CREBBP
SCHEMBL21657878 0.71 NR1H2 (0.39) NR1H2CA12CA9BRD4CREBBP

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-20200031805-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-01-30 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-20200031805-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS AHR, ARNT, AIPL1 NR1H2 5/4885CA12 4740/4885CA9 4613/4885

“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.