SCHEMBL5146259

SCHEMBL5146259

COc1ccc(CC(=O)O)c(OC)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
TAAR1 Q96RJ0 1/20 0.48
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HTR5A P47898 1/20 0.44
IMPDH2 P12268 1/20 0.44
STING1 Q86WV6 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4944820 0.89 HSD17B10 (0.57) HSD17B10TAAR1GAANPSR1MEN1
SCHEMBL9786071 0.86 HSD17B10 (0.54) HSD17B10TAAR1GAANPSR1MEN1
SCHEMBL151820 0.86 HSD17B10 (0.57) HSD17B10TAAR1GAANPSR1MEN1
SCHEMBL30969123 0.86 HSD17B10 (0.57) HSD17B10TAAR1GAANPSR1MEN1
SCHEMBL31357219 0.84 SMN1; SMN2 (0.47) HSD17B10GAAKDM4EALDH1A1IMPDH2
SCHEMBL28608032 0.83 TAAR1 (0.43) HSD17B10TAAR1MEN1KMT2AKDM4E
SCHEMBL11330327 0.81 IMPDH2 (0.60) HSD17B10GAANPSR1MEN1KMT2A
SCHEMBL13067439 0.80 MEN1 (0.49) TAAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL12904375 0.79 HSD17B10 (0.54) HSD17B10GAANPSR1KDM4EALDH1A1
SCHEMBL12904374 0.79 HSD17B10 (0.50) HSD17B10GAANPSR1MEN1KMT2A

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 4 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-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-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 HSD17B10 209/4885TAAR1 4636/4885GAA 917/4885
US-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier NDUFB5, NDUFB7, NDUFB3 HSD17B10 254/4885TAAR1 4330/4885GAA 1514/4885

“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.