SCHEMBL16319477

SCHEMBL16319477

COc1c(O)cccc1CCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
IAPP P10997 4/20 0.49
PTGER1 P34995 2/20 0.48
PTGER4 P35408 2/20 0.48
PTGER3 P43115 2/20 0.48
PTGER2 P43116 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
AKR1B1 P15121 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
DRD3 P35462 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD1 P21728 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5364121 0.86 PTGER4 (0.48) POLBPTGER1PTGER4PTGER3PTGER2
SCHEMBL490691 0.85 CTSG (0.56) PTGER1PTGER4PTGER3PTGER2CA1
SCHEMBL16318855 0.85 IAPP (0.47) POLBIAPPCA1CA2NPC1
SCHEMBL23964581 0.85 PTGER4 (0.60) POLBPTGER1PTGER4PTGER3PTGER2
SCHEMBL11073817 0.84 AKR1B1 (0.60) POLBIAPPCA1CA2AKR1B1
SCHEMBL21317655 0.84 POLB (0.61) POLBPTGER1PTGER4PTGER3PTGER2
SCHEMBL7293717 0.83 KMT2A (0.49) POLBPTGER1PTGER4PTGER3PTGER2
SCHEMBL17743633 0.83 POLB (0.49) POLBPTGER1PTGER4PTGER3PTGER2
SCHEMBL7885276 0.83 CTSG (0.55) PTGER1PTGER4PTGER3PTGER2CA1
SCHEMBL27747620 0.83 MEN1 (0.47) POLBPTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746364-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-09-05 US disclosed
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 US disclosed
US-20220002768-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-06 US disclosed
US-20220002769-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-06 US disclosed
US-10941429-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2021-03-09 US disclosed
US-20190271015-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2019-09-05 US disclosed
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 POLB 4573/4885IAPP 155/4885PTGER1 493/4885

“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.