SCHEMBL17399043

SCHEMBL17399043

CCOC(=O)c1cccc2c(Br)ccc-2c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
MEP1B Q16820 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
GALR1 P47211 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 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 0.93 TP53 (0.51) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL13830587 0.86 TP53 (0.50) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL13830820 0.84 CYP4F2 (0.51) TP53POLBHPGDMEP1BCYP4F2
SCHEMBL4883544 0.81 SMN1; SMN2 (0.49) TP53POLBHPGD
SCHEMBL29617015 0.81 TP53 (0.62) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL29677953 0.81 MAPT (0.50) CA12CA1CA2CA7CA9
SCHEMBL3947571 0.81 POLB (0.54) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL245137 0.79 KDM4E (0.65) MEP1BCYP4F2CYP4A11CA12CA1
SCHEMBL29627840 0.79 KDM4E (0.65) MEP1BCYP4F2CYP4A11CA12CA1
SCHEMBL4193217 0.79 TP53 (0.61) TP53POLBHPGDCYP4F2CYP4A11

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-20160083426-A1 NON-BENZENOID AROMATIC SYSTEMS FOR IMAGING, MONITORING AND THERAPY MEDIBEACON INC. (US) 2016-03-24 US disclosed
US-9226980-B2 Azulene and azaazulene systems for imaging, monitoring and therapy MEDIBEACON INC. (US) 2016-01-05 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-20160083426-A1 NON-BENZENOID AROMATIC SYSTEMS FOR IMAGING, MONITORING AND THERAPY PAH, AHR, ALK TP53 215/4885POLB 3774/4885HPGD 1636/4885

“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.