SCHEMBL5146192

SCHEMBL5146192

COc1cc(C=O)c(OC)c(OC)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 2/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
PRKDC P78527 2/20 0.50
ERN1 O75460 6/20 0.46
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
CA1 P00915 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
SCHEMBL1635784 0.90 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL10734426 0.85 POLB (0.47) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL38661111 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL20123251 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL3751505 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL20661182 0.83 PRKDC (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL5144957 0.83 ERN1 (0.59) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL11999809 0.83 PRKDC (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL14430664 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL31628927 0.78 PRKDC (0.48) ALDH1A1KDM4ETSHRTDP1PRKDC

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 8 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-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 ALDH1A1 638/4885KDM4E 2305/4885TSHR 4717/4885
US-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier NDUFB5, NDUFB7, NDUFB3 ALDH1A1 991/4885KDM4E 3016/4885TSHR 4702/4885

“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.