SCHEMBL8222381

SCHEMBL8222381

COc1ccc(C(=O)O)cc1NC/C=C(\C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.47
▸ MTNR1A P48039 1/20 0.46
▸ LTB4R Q15722 3/20 0.46
▸ TRPV1 Q8NER1 3/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43

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
SCHEMBL3609256 0.91 PTGES (0.47) PTGESMTNR1ATRPV1HDAC3HDAC4
SCHEMBL3590181 0.91 PTGES (0.47) PTGESMTNR1ATRPV1HDAC3HDAC4
SCHEMBL8223345 0.91 PTGES (0.47) PTGESMTNR1ATRPV1HDAC3HDAC4
SCHEMBL8223338 0.90 PTGES (0.47) PTGESMTNR1ATRPV1HDAC3HDAC4
SCHEMBL8223363 0.88 CA12 (0.51) LTB4RHDAC1HDAC8HDAC6TSHR
SCHEMBL8219287 0.85 BACE1 (0.53) TRPV1BACE1
SCHEMBL3607179 0.82 PPARG (0.46) PTGESMTNR1ATRPV1HDAC3HDAC4
SCHEMBL3607181 0.82 PPARG (0.46) PTGESMTNR1ATRPV1HDAC3HDAC4
SCHEMBL8214969 0.81 PTGES (0.42) PTGESMTNR1ATRPV1HDAC3HDAC4
SCHEMBL8223744 0.80 CREBBP (0.42) PTGESMTNR1ATRPV1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041665-A1 N-PHENYL-PRENYLAMINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2010-02-18 — — US disclosed
US-20100041665-A1 N-PHENYL-PRENYLAMINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2010-02-18 — — US disclosed
WO-2008015240-A1 N-PHENYL-PRENYLAMINE 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-20100041665-A1 N-PHENYL-PRENYLAMINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS PNMT, PSEN1, SNCA PTGES 410/4885MTNR1A 319/4885LTB4R 2309/4885

“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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