SCHEMBL3080045

SCHEMBL3080045

CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cc(C(=O)O)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
PTGES O14684 3/20 0.49
ALOX15 P16050 5/20 0.48
TRPV1 Q8NER1 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NDUFS8 O00217 1/20 0.45
COXFA4 O00483 1/20 0.45
NDUFAB1 O14561 1/20 0.45
NDUFA1 O15239 1/20 0.45
NDUFS4 O43181 1/20 0.45

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
SCHEMBL3080047 1.00 MTNR1A (0.50) MTNR1APTGESALOX15TRPV1HDAC3
SCHEMBL3089499 0.89 MTNR1A (0.58) MTNR1APTGESALOX15TRPV1HDAC3
SCHEMBL3089501 0.89 MTNR1A (0.58) MTNR1APTGESALOX15TRPV1HDAC3
SCHEMBL3080319 0.88 PTGES (0.53) MTNR1APTGESALOX15TRPV1HDAC3
SCHEMBL3080317 0.88 PTGES (0.53) MTNR1APTGESALOX15TRPV1HDAC3
SCHEMBL6650602 0.88 MTNR1A (0.60) MTNR1APTGESALOX15TRPV1HDAC3
SCHEMBL6650611 0.88 MTNR1A (0.60) MTNR1APTGESALOX15TRPV1HDAC3
SCHEMBL8212052 0.87 EP300 (0.45) MTNR1APTGES
SCHEMBL3073003 0.87 PTGES (0.52) MTNR1APTGESALOX15TRPV1HDAC3
SCHEMBL3073002 0.87 PTGES (0.52) MTNR1APTGESALOX15TRPV1HDAC3

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-20100267827-A1 PHENYL-PRENYL-ETHER DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2010-10-21 US disclosed
US-20100267827-A1 PHENYL-PRENYL-ETHER DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2010-10-21 US disclosed
US-20100267827-A1 PHENYL-PRENYL-ETHER DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2010-10-21 US disclosed
EP-2051958-A1 PHENYL-PRENYL-ETHER DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2009-04-29 EP disclosed
EP-1886990-A1 Phenyl-prenyl-ether derivatives for the treatment of cognitive neurodegenerative or neuronal diseases or disorders Neuropharma S.A. (ES) 2008-02-13 EP disclosed
EP-1886990-A1 Phenyl-prenyl-ether derivatives for the treatment of cognitive neurodegenerative or neuronal diseases or disorders Neuropharma S.A. (ES) 2008-02-13 EP disclosed
WO-2008015241-A1 PHENYL-PRENYL-ETHER DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2008-02-07 WO disclosed
WO-2008015241-A1 PHENYL-PRENYL-ETHER DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2008-02-07 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 (1 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-20100267827-A1 PHENYL-PRENYL-ETHER DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS PARK7, PSEN2, PSEN1 MTNR1A 664/4885PTGES 175/4885ALOX15 379/4885

“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.