SCHEMBL13830587

SCHEMBL13830587

CCOC(=O)c1cccc(-c2cccc(Br)c2C)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
GALR1 P47211 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
PRKDC P78527 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5096355 0.90 TP53 (0.51) TP53POLBHPGDGALR1CYP4F2
SCHEMBL17399043 0.86 TP53 (0.49) TP53POLBHPGDGALR1CYP4F2
SCHEMBL29617015 0.82 TP53 (0.62) TP53POLBHPGDGALR1CYP4F2
SCHEMBL3947571 0.81 POLB (0.54) TP53POLBHPGDGALR1CYP4F2
SCHEMBL13861305 0.81 TP53 (0.48) TP53POLBHPGDGALR1CYP4F2
SCHEMBL5152202 0.81 POLB (0.50) TP53POLBHPGDGALR1CYP4F2
SCHEMBL4193217 0.80 TP53 (0.61) TP53POLBHPGDGALR1CYP4F2
SCHEMBL6225292 0.80 KDM4E (0.57) TP53POLBHPGDGALR1CYP4F2
SCHEMBL5863088 0.80 TP53 (0.49) TP53POLBHPGDGALR1CYP4F2
SCHEMBL4883544 0.79 SMN1; SMN2 (0.49) TP53POLBHPGDNPC1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 WO 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-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A TP53 195/4885POLB 2849/4885HPGD 2538/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 TP53 472/4885POLB 2947/4885HPGD 2803/4885

“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.