SCHEMBL5146165

SCHEMBL5146165

COc1c(Br)cc(CO)c(O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA1 P00915 1/20 0.40
CA6 P23280 1/20 0.40
MAPT P10636 1/20 0.39
SHBG P04278 1/20 0.38
ALOX15 P16050 2/20 0.38
TPMT P51580 1/20 0.38
ALOX12 P18054 1/20 0.38
IMPDH2 P12268 1/20 0.38
GFER P55789 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PTGS2 P35354 2/20 0.35
ALOX5 P09917 1/20 0.35
HSD17B10 Q99714 3/20 0.35

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
SCHEMBL18393361 0.81 CA2 (0.46) CA2CA4CA1CA6MAPT
SCHEMBL6410058 0.72 HSD17B10 (0.50) CA2CA4CA1CA6MAPT
SCHEMBL3927720 0.72 MAPT (0.46) CA2CA4CA1CA6MAPT
SCHEMBL16240772 0.72 MAPT (0.46) MAPTSHBGGFERALDH1A1PDE4A
SCHEMBL30679916 0.72 ALOX5 (0.47) CA2CA1MAPTSHBGALOX15
SCHEMBL8797591 0.72 ALOX5 (0.47) CA2CA1MAPTSHBGALOX15
SCHEMBL14507727 0.71 CA2 (0.61) CA2CA4CA1CA6MAPT
SCHEMBL5143316 0.70 ERN1 (0.51) CA2CA1MAPTTPMT
SCHEMBL28111225 0.70 CA2 (0.46) CA2CA4CA1CA6MAPT
Methoxymethane SCHEMBL11333003 0.69 TPMT (0.46) CA2CA4CA1CA6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208086-A1 UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-06 US disclosed
US-20070208086-A1 UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-06 US disclosed
US-20070208086-A1 UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-06 US disclosed
US-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-30 US disclosed
US-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-30 US disclosed
US-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-30 US disclosed
WO-2007095630-A2 NEW UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 WO disclosed
WO-2007095630-A2 NEW UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 WO disclosed
WO-2007095631-A2 NEW DRUG DELIVERY SYSTEM FOR CROSSING THE BLOOD BRAIN BARRIER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 WO disclosed
WO-2007095631-A2 NEW DRUG DELIVERY SYSTEM FOR CROSSING THE BLOOD BRAIN BARRIER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 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-20070208086-A1 UBIQUINONE ANALOGS AND METHODS OF USE NDUFB7, NDUFB1, NDUFB3 CA2 4679/4885CA4 4514/4885CA1 4571/4885
US-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier NDUFB5, NDUFB7, NDUFB3 CA2 4133/4885CA4 4329/4885CA1 4106/4885

“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.