SCHEMBL989579

SCHEMBL989579

O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.59
MTOR P42345 1/20 0.59
BCHE P06276 3/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.44
IDO1 P14902 1/20 0.43
ACHE P22303 2/20 0.42
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
SLC6A2 P23975 2/20 0.42
AGXT P21549 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TACR1 P25103 2/20 0.41

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
SCHEMBL19479655 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL6822201 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL20197201 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL19479652 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL7261299 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL7739055 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL13207930 0.96 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL1117739 0.96 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL857551 0.96 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL9452147 0.96 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338849-A1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS MASSACHUSETTS GEN HOSPITAL (US) 2021-11-04 US disclosed
EP-3231804-B1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS MASSACHUSETTS GEN HOSPITAL (US) 2021-03-03 EP disclosed
US-10857247-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders THE GENERAL HOSPITAL CORPORATION (US) 2020-12-08 US disclosed
EP-3231804-A1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS The General Hospital Corporation (US) 2017-10-18 EP disclosed
EP-2268647-B1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS MASSACHUSETTS GEN HOSPITAL (US) 2017-01-25 EP disclosed
US-9005578-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders FLUOROPHARMA, INC. (US) 2015-04-14 US disclosed
US-20150098903-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders THE GENERAL HOSPITAL CORPORATION 2015-04-09 US disclosed
US-20130315827-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders FLUOROPHARMA, INC. (US) 2013-11-28 US disclosed
US-8450466-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders THE GENERAL HOSPTIAL CORPORATION (US) 2013-05-28 US disclosed
US-20110060138-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders THE GENERAL HOSPITAL CORPORATION 2011-03-10 US disclosed
EP-2268647-A2 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS The General Hospital Corporation (US) 2011-01-05 EP disclosed
WO-2009117728-A2 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS THE GENERAL HOSPITAL CORPORATION (US) 2009-09-24 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 (5 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-20210338849-A1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS APP, PSEN1, PSEN2 PDPK1 3992/4885MTOR 1860/4885BCHE 49/4885
US-10857247-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders APP, PSEN1, PSEN2 PDPK1 3992/4885MTOR 1860/4885BCHE 49/4885
US-20130315827-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders APP, PSEN1, PSEN2 PDPK1 3992/4885MTOR 1860/4885BCHE 49/4885
US-20150098903-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders APP, PSEN1, PSEN2 PDPK1 3992/4885MTOR 1860/4885BCHE 49/4885
US-20110060138-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders APP, PSEN1, PSEN2 PDPK1 3992/4885MTOR 1860/4885BCHE 49/4885

“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.