SCHEMBL31476409

SCHEMBL31476409

CC1=CC(C)(C)N(C)c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.41
AR P10275 3/20 0.41
NPSR1 Q6W5P4 5/20 0.39
LMNA P02545 4/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL21750720 0.86 PAX8 (0.44) PGRARNPSR1LMNAPAX8
SCHEMBL9354162 0.82 NPSR1 (0.55) PGRARNPSR1LMNAALDH1A1
SCHEMBL3485083 0.79 ALDH1A1 (0.41) PGRARNPSR1LMNAALDH1A1
SCHEMBL31476446 0.78 AR (0.40) PGRARNPSR1LMNAPAX8
SCHEMBL31476404 0.77 AR (0.43) PGRARNPSR1LMNAALDH1A1
SCHEMBL2393621 0.74 LMNA (0.57) PGRARNPSR1LMNAPAX8
SCHEMBL30337149 0.73 ESR1 (0.41) PGRARNPSR1LMNAALDH1A1
SCHEMBL30337375 0.72 ESR1 (0.42) PGRARNPSR1LMNAALDH1A1
SCHEMBL3485434 0.71 CYP1A2 (0.40) PGRARNPSR1ALDH1A1KMT2A
SCHEMBL3379896 0.67 KMT2A (0.54) NPSR1LMNAPAX8ALDH1A1TSHR

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-20250115628-A1 FLUORINATED FLUOROPHORES HOWARD HUGHES MEDICAL INSTITUTE 2025-04-10 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-20250115628-A1 FLUORINATED FLUOROPHORES PFAS, FLI1, ARFGEF1 PGR 4291/4885AR 4290/4885NPSR1 2327/4885

“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.