SCHEMBL17358779

SCHEMBL17358779

Cc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
NPC1 O15118 2/20 0.67
HTT P42858 2/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
DGAT1 O75907 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LSS P48449 3/20 0.46
AKR1C3 P42330 1/20 0.45
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL9422049 0.90 ALDH1A1 (0.56) MAPTNPC1HTTMAPK1SMN1; SMN2
SCHEMBL14099187 0.86 LMNA (0.50) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL9327289 0.83 AKR1C3 (0.51) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL10877746 0.83 MAPT (0.71) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL5307521 0.83 CES2 (0.55) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL9726681 0.82 CSNK2A1 (0.47) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL3469362 0.81 CASP3 (0.54) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL10396945 0.80 MAPT (1.00) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL9422042 0.80 DGAT1 (0.54) MAPTNPC1HTTMAPK1KMT2A
SCHEMBL7401884 0.80 LTA4H (0.49) MAPTNPC1HTTMAPK1KMT2A

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-20150366824-A1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER THE CURATORS OF THE UNIVERSITY OF MISSOURI 2015-12-24 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-20150366824-A1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER ESRRA, ESRRB, ESRRG MAPT 4016/4885NPC1 89/4885HTT 4826/4885

“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.