SCHEMBL22128474

SCHEMBL22128474

Cc1cc(C=O)c(F)c(F)c1Br

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
ERN1 O75460 5/20 0.34
PRKDC P78527 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5366778 0.80 ALDH1A1 (0.39) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL20607355 0.80 ERN1 (0.45) ALDH1A1TSHRERN1CYP3A4
SCHEMBL9821011 0.80 ALDH1A1 (0.33) ALDH1A1TSHRERN1PRKDCSMN1; SMN2
SCHEMBL19641559 0.77 ALDH1A1 (0.41) ALDH1A1TSHRERN1PRKDCSMN1; SMN2
SCHEMBL30065195 0.77 ALDH1A1 (0.41) ALDH1A1TSHRERN1PRKDCSMN1; SMN2
SCHEMBL22768246 0.75 ERN1 (0.35) ERN1PRKDC
SCHEMBL28524025 0.75 ALDH1A1 (0.35) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL25250329 0.75 ERN1 (0.39) ALDH1A1TSHRERN1PRKDCLMNA
SCHEMBL1144801 0.75 ERN1 (0.44) ALDH1A1TSHRERN1PRKDCSMN1; SMN2
SCHEMBL31088734 0.75 ERN1 (0.44) ALDH1A1TSHRERN1PRKDCSMN1; SMN2

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-11407725-B2 Selective fluorescent probe for aldehyde dehydrogenase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-08-09 US disclosed
US-20200199092-A1 SELECTIVE FLUORESCENT PROBE FOR ALDEHYDE DEHYDROGENASE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-06-25 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-11407725-B2 Selective fluorescent probe for aldehyde dehydrogenase ALDH1A1, ALDH3A1, ALDH16A1 ALDH1A1 1/4885TSHR 3929/4885ERN1 1974/4885
US-20200199092-A1 SELECTIVE FLUORESCENT PROBE FOR ALDEHYDE DEHYDROGENASE ALDH1A1, ALDH3A1, ALDH16A1 ALDH1A1 1/4885TSHR 3929/4885ERN1 1974/4885

“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.