SCHEMBL990387

SCHEMBL990387

c1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
MTOR P42345 1/20 0.42
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
DPP4 P27487 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HTR1A P08908 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 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
SCHEMBL14094702 1.00 PDPK1 (0.42) PDPK1MTOROPRM1OPRL1POLB
SCHEMBL21510528 1.00 PDPK1 (0.42) PDPK1MTOROPRM1OPRL1POLB
SCHEMBL7921733 0.95 OPRM1 (0.41) PDPK1MTOROPRM1OPRL1POLB
SCHEMBL25627219 0.95 OPRM1 (0.41) PDPK1MTOROPRM1OPRL1POLB
SCHEMBL4873069 0.90 POLB (0.39) PDPK1MTOROPRM1OPRL1POLB
SCHEMBL4870268 0.90 POLB (0.39) PDPK1MTOROPRM1OPRL1POLB
SCHEMBL9767683 0.90 POLB (0.40) PDPK1MTOROPRM1OPRL1POLB
SCHEMBL12221533 0.90 POLB (0.40) PDPK1MTOROPRM1OPRL1POLB
SCHEMBL7922102 0.90 POLB (0.40) PDPK1MTOROPRM1OPRL1POLB
SCHEMBL9445830 0.90 TACR1 (0.42) OPRM1OPRL1SIGMAR1TACR1

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 1860/4885OPRM1 4483/4885
US-10857247-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders APP, PSEN1, PSEN2 PDPK1 3992/4885MTOR 1860/4885OPRM1 4483/4885
US-20130315827-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders APP, PSEN1, PSEN2 PDPK1 3992/4885MTOR 1860/4885OPRM1 4483/4885
US-20150098903-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders APP, PSEN1, PSEN2 PDPK1 3992/4885MTOR 1860/4885OPRM1 4483/4885
US-20110060138-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders APP, PSEN1, PSEN2 PDPK1 3992/4885MTOR 1860/4885OPRM1 4483/4885

“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.