SCHEMBL12937425

SCHEMBL12937425

COc1ccc(-c2cc(-c3ccc(CO)c(OC)c3)sc2-c2ccc(OC)c(OC)c2)cc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.49
▸ CD274 Q9NZQ7 2/20 0.49
▸ MAPT P10636 1/20 0.43
▸ SNCA P37840 1/20 0.43
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL12497200 0.84 MAPT (0.53) MAPTSNCAESR1ESR2PDE4A
SCHEMBL11521584 0.79 HSD17B1 (0.51) ESR1ESR2PTPN1HSD17B1HSD17B2
SCHEMBL12937485 0.77 MAPT (0.45) MAPTSNCAESR1ESR2PDE4A
SCHEMBL12497249 0.68 SNCA (0.54) MAPTSNCAPDE4APTPN1KDM4E
SCHEMBL28008454 0.68 PDCD1 (0.55) PDCD1CD274MAPTKDM4EALDH1A1
SCHEMBL6094201 0.68 TNFRSF1A (0.49) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11519955 0.68 HSD17B1 (0.48) MAPTESR1ESR2HSD17B1HSD17B2
SCHEMBL23222436 0.67 PDE4A (0.46) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL11520829 0.66 ESR1 (0.59) MAPTESR1ESR2PTPN1ALDH1A1
SCHEMBL22697440 0.65 PDCD1 (0.51) PDCD1CD274MAPTPDE4APDE4B

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-20180002298-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTAMED INC (US) 2018-01-04 — — US disclosed
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTAMED INC (US) 2017-01-26 — — US disclosed
US-9334251-B2 Compounds for the treatment of neurodegenerative diseases PROTAMED, INC. (US) 2016-05-10 — — US disclosed
US-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PROTEOTECH INC. (US) 2015-10-01 — — US disclosed
US-9085549-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC (US) 2015-07-21 — — US disclosed
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2015-01-08 — — US disclosed
US-8865754-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2014-10-21 — — US disclosed
US-20120251448-A1 Compounds for Use in the Detection of Neurodegenerative Diseases AVID RADIOPHARMACEUTICALS, INC. 2012-10-04 — — US 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-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PSEN1, PSEN2, GRN PDCD1 2440/4885CD274 3622/4885MAPT 4/4885
US-20180002298-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN1, PSEN2, GRN PDCD1 2440/4885CD274 3622/4885MAPT 4/4885
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases SNCA, MAPT, PARK7 PDCD1 476/4885CD274 2208/4885MAPT 2/4885
US-20120251448-A1 Compounds for Use in the Detection of Neurodegenerative Diseases SNCA, PARK7, NLN PDCD1 2289/4885CD274 3767/4885MAPT 15/4885
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN1, PSEN2, GRN PDCD1 2440/4885CD274 3622/4885MAPT 4/4885

“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.

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