SCHEMBL450331

SCHEMBL450331

O=C1c2cc(Br)ccc2CCC1Cc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.57
PDE4D Q08499 2/20 0.48
CYP26A1 O43174 4/20 0.43
HTR1A P08908 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL28733931 0.86 CYP19A1 (0.59) CYP19A1CYP26A1HTR1ASIGMAR1
SCHEMBL10686519 0.86 CYP19A1 (0.59) CYP19A1CYP26A1HTR1ASIGMAR1
SCHEMBL29679345 0.86 CYP19A1 (0.59) CYP19A1CYP26A1HTR1ASIGMAR1
SCHEMBL6825354 0.84 CYP19A1 (0.73) CYP19A1HTR1ASIGMAR1
SCHEMBL6827906 0.83 CYP19A1 (0.76) CYP19A1PDE4DCYP26A1
SCHEMBL9586682 0.77 CYP19A1 (0.48) CYP19A1PDE4DCYP26A1
SCHEMBL6822323 0.76 CYP19A1 (0.76) CYP19A1PDE4DCYP26A1SIGMAR1
SCHEMBL10686411 0.76 CYP26A1 (0.61) CYP19A1CYP26A1HTR1ASIGMAR1
SCHEMBL28733978 0.76 CYP26A1 (0.61) CYP19A1CYP26A1HTR1ASIGMAR1
SCHEMBL29679374 0.76 CYP26A1 (0.61) CYP19A1CYP26A1HTR1ASIGMAR1

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed
EP-0073663-B1 THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Limited (GB) 1986-06-18 EP disclosed
US-4590200-A NON-INHIBITION OF PROSTACYCLIN SYNTHETASE OR CYCLO-OXYGENASE PFIZER INC. (US) 1986-05-20 US disclosed
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 US disclosed
EP-0073663-A2 Thromboxane synthetase inhibitors, processes for their production, and pharmaceutical compositions comprising them Pfizer Limited (GB) 1983-03-09 EP 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 CYP19A1 906/4885PDE4D 1032/4885CYP26A1 1273/4885

“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.