SCHEMBL2862583

SCHEMBL2862583

O=C(O)CC(=O)CCc1ccc(O)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.68
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ TRPV1 Q8NER1 4/20 0.53
▸ CA2 P00918 1/20 0.52
▸ CAMK2A Q9UQM7 1/20 0.52
▸ ESR1 P03372 2/20 0.50
▸ F2RL1 P55085 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ BACE1 P56817 1/20 0.49
▸ CYP19A1 P11511 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ SLC16A3 O15427 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ POLB P06746 1/20 0.49

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
Letestuianin C SCHEMBL4410123 0.90 F2RL1 (0.60) MMP12HDAC2HDAC8TRPV1CA2
SCHEMBL10755024 0.89 TRPV1 (0.55) MMP12HDAC2HDAC8TRPV1CA2
SCHEMBL13311578 0.86 TRPV1 (0.64) MMP12HDAC2HDAC8TRPV1F2RL1
SCHEMBL8108885 0.85 ESR1 (0.62) HDAC2HDAC8TRPV1CA2CAMK2A
SCHEMBL1532408 0.83 MMP12 (0.79) MMP12HDAC2HDAC8ALDH1A1MAPT
Hydroxyphenyl Propionic Acid SCHEMBL35486 0.83 FFAR1 (0.68) HDAC2HDAC8TRPV1CA2CAMK2A
SCHEMBL5643123 0.82 MMP12 (0.66) MMP12F2RL1KDM4EALDH1A1LMNA
SCHEMBL7508200 0.82 MMP12 (0.66) MMP12F2RL1MEN1ALDH1A1GAA
SCHEMBL1645396 0.82 KDM4E (0.55) MMP12HDAC2HDAC8TRPV1ESR1
Hydroxyphenyl Propionic Acid SCHEMBL5606896 0.81 FFAR1 (0.65) HDAC2HDAC8TRPV1CA2CAMK2A

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-9738605-B2 Hybrid compounds of curcumin and melatonin as neuroprotectants for neurodegenerative disorders VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-08-22 — — US claimed
US-20160289187-A1 HYBRID COMPOUNDS OF CURCUMIN AND MELATONIN AS NEUROPROTECTANTS FOR NEURODEGENERATIVE DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-10-06 — — US claimed
WO-2015069970-A1 HYBRID COMPOUNDS OF CURCUMIN AND MELATONIN AS NEUROPROTECTANTS FOR NEURODEGENERATIVE DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-05-14 — — WO claimed
US-9738605-B2 Hybrid compounds of curcumin and melatonin as neuroprotectants for neurodegenerative disorders VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-08-22 — — US disclosed
US-20160289187-A1 HYBRID COMPOUNDS OF CURCUMIN AND MELATONIN AS NEUROPROTECTANTS FOR NEURODEGENERATIVE DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-10-06 — — US disclosed
WO-2015069970-A1 HYBRID COMPOUNDS OF CURCUMIN AND MELATONIN AS NEUROPROTECTANTS FOR NEURODEGENERATIVE DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-05-14 — — WO disclosed
EP-2195323-B1 Polyspirane compounds, use thereof in the treatment of malaria or toxoplasmosis and method for their preparation UNIV JOSEPH FOURIER (FR) 2011-12-28 — — EP disclosed
EP-2195323-A2 NOVEL POLYSPIRANE COMPOUNDS, APPLICATION THEREOF IN THE TREATMENT OF MALARIA OR TOXOPLASMOSIS AND METHOD FOR PREPARING SAME Université Joseph Fourier (FR) 2010-06-16 — — EP disclosed
WO-2009077677-A2 NOVEL POLYSPIRANE COMPOUNDS, APPLICATION THEREOF IN THE TREATMENT OF MALARIA OR TOXOPLASMOSIS AND METHOD FOR PREPARING SAME UNIVERSITE JOSEPH FOURIER (FR) 2009-06-25 — — WO disclosed
US-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 — — US disclosed
EP-0191448-A2 Antihypertensive dihydropyridine derivatives SYNTEX (U.S.A.) INC. (US) 1986-08-20 — — EP disclosed
US-4595690-A Hypotensive agents SYNTEX (U.S.A.) INC. (US) 1986-06-17 — — 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 (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-20160289187-A1 HYBRID COMPOUNDS OF CURCUMIN AND MELATONIN AS NEUROPROTECTANTS FOR NEURODEGENERATIVE DISORDERS MTNR1A, MTNR1B, HTT MMP12 1872/4885HDAC2 313/4885HDAC8 810/4885

“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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