SCHEMBL9986363

SCHEMBL9986363

COc1ccc2cc(-c3cncc(OCCF)c3)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 18/20 0.73
CYP11B1 P15538 17/20 0.73
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 1/20 0.71
CYP17A1 P05093 2/20 0.52
CYP19A1 P11511 1/20 0.52
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
ROS1 P08922 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
AKT1 P31749 1/20 0.47

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
SCHEMBL14848543 1.00 CYP11B2 (0.73) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL9984894 0.90 CYP11B2 (0.75) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL12027214 0.86 CYP11B2 (0.73) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL9984093 0.86 CYP11B2 (0.73) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL3004402 0.84 CYP11B2 (1.00) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL12027311 0.75 CYP11B2 (0.76) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL10458381 0.73 CA12 (0.59)
SCHEMBL7413835 0.73 CYP11B2 (0.78) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL4509505 0.73 CYP11B2 (0.72) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL3268274 0.72 CYP1A2 (0.52) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130089502-A1 PET RADIOPHARMACEUTICALS FOR DIFFERENTIAL DIAGNOSIS BETWEEN BILATERAL AND UNILATERAL CONDITIONS OF PRIMARY HYPERALDOSTERONISM UNIVERSITAT DES SAARLANDES (DE) 2013-04-11 US disclosed
US-20130089502-A1 PET RADIOPHARMACEUTICALS FOR DIFFERENTIAL DIAGNOSIS BETWEEN BILATERAL AND UNILATERAL CONDITIONS OF PRIMARY HYPERALDOSTERONISM UNIVERSITAT DES SAARLANDES (DE) 2013-04-11 US disclosed
US-20130089502-A1 PET RADIOPHARMACEUTICALS FOR DIFFERENTIAL DIAGNOSIS BETWEEN BILATERAL AND UNILATERAL CONDITIONS OF PRIMARY HYPERALDOSTERONISM UNIVERSITAT DES SAARLANDES (DE) 2013-04-11 US disclosed
EP-2575899-A1 PET RADIOPHARMACEUTICALS FOR DIFFERENTIAL DIAGNOSIS BETWEEN BILATERAL AND UNILATERAL CONDITIONS OF PRIMARY HYPERALDOSTERONISM Julius-Maximilians-Universität Würzburg (DE) 2013-04-10 EP disclosed
EP-2394668-A1 PET radiopharmaceuticals for differential diagnosis between bilateral and unilateral conditions of primary hyperaldosteronism Julius-Maximilians-Universität Würzburg (DE) 2011-12-14 EP disclosed
WO-2011151411-A1 PET RADIOPHARMACEUTICALS FOR DIFFERENTIAL DIAGNOSIS BETWEEN BILATERAL AND UNILATERAL CONDITIONS OF PRIMARY HYPERALDOSTERONISM JULIUS-MAXIMILIANS-UNIVERSITÄT (DE) 2011-12-08 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 (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-20130089502-A1 PET RADIOPHARMACEUTICALS FOR DIFFERENTIAL DIAGNOSIS BETWEEN BILATERAL AND UNILATERAL CONDITIONS OF PRIMARY HYPERALDOSTERONISM HSD11B1, HSD11B2, CYP11B1 CYP11B2 4/4885CYP11B1 3/4885CYP1A2 31/4885

“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.