SCHEMBL21629673

SCHEMBL21629673

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 3/20 0.41
CES2 O00748 2/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 3/20 0.34
GAA P10253 1/20 0.34
AR P10275 3/20 0.33
CYP3A4 P08684 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL21629686 0.87 NR1H2 (0.40) EIF4E
SCHEMBL20482286 0.82 SCN9A (0.36) ALDH1A1AKR1C3AKR1C2
SCHEMBL20482364 0.74 ALDH1A1 (0.37) ALDH1A1LMNAGAAAKR1C3AKR1C2
SCHEMBL27763646 0.74 HSD17B10 (0.43) EIF4ECES2CES1ALDH1A1LMNA
SCHEMBL20455581 0.73 HSD11B1 (0.40) ALDH1A1TSHRHTTAKR1C3AKR1C2
SCHEMBL20455617 0.71 KMO (0.40) ALDH1A1PGR
SCHEMBL21629679 0.70 CYP19A1 (0.50) EIF4EALDH1A1MEN1KMT2ANPC1
SCHEMBL21629658 0.69 NR1H2 (0.43)
SCHEMBL12353594 0.67 TSHR (0.47) EIF4ECES2CES1ALDH1A1MEN1
SCHEMBL20482421 0.66 CNR2 (0.38) ALDH1A1MEN1KMT2AMAPTRAB9A

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 EIF4E 4594/4885CES2 2597/4885CES1 869/4885

“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.