SCHEMBL6887763

SCHEMBL6887763

COc1ccc(CC=O)c(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.53
MAOB P27338 1/20 0.51
ABCB1 P08183 5/20 0.51
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
MTNR1A P48039 3/20 0.48
MTNR1B P49286 2/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PPARA Q07869 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL3959610 0.90 MAOB (0.51) MAOB
SCHEMBL3208113 0.87 KDM4E (0.44) HDAC8MAOBABCB1HTR1ADRD2
SCHEMBL4231254 0.86 MAOB (0.51) HDAC8MAOBABCB1HTR1ADRD2
SCHEMBL5779644 0.85 MAOB (0.57) HDAC8MAOBABCB1HTR1ADRD2
SCHEMBL4281014 0.84 ABCB1 (0.52) HDAC8MAOBABCB1HTR1ADRD2
SCHEMBL28451865 0.84 HDAC8 (0.55) HDAC8MAOBABCB1HTR1ADRD2
SCHEMBL6885591 0.83 NPC1 (0.49) HDAC8ABCB1HTR1ANPC1RAB9A
SCHEMBL6885785 0.83 PTGER1 (0.49) MAOBHTR1ADRD2MAPTHTT
SCHEMBL27563776 0.82 MAOB (0.57) HDAC8MAOBABCB1HTR1ADRD2
SCHEMBL6034576 0.81 MAOB (0.55) HDAC8MAOBABCB1HTR1ADRD2

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
CN-107868091-B Meddigesin, derivatives thereof and preparation method thereof 怀特生技新药股份有限公司 2020-08-28 CN disclosed
US-10385061-B2 Medicarpin, its derivatives, manufacturing method thereof PHYTOHEALTH CORPORATION (TW) 2019-08-20 US disclosed
US-10385061-B2 Medicarpin, its derivatives, manufacturing method thereof PHYTOHEALTH CORPORATION (TW) 2019-08-20 US disclosed
CN-107868091-A Meddigesin, derivatives thereof and preparation method thereof 怀特生技新药股份有限公司 2018-04-03 CN disclosed
US-20180086772-A1 MEDICARPIN, ITS DERIVATIVES, MANUFACTURING METHOD THEREOF PHYTOHEALTH CORPORATION (TW) 2018-03-29 US disclosed
US-20180086772-A1 MEDICARPIN, ITS DERIVATIVES, MANUFACTURING METHOD THEREOF PHYTOHEALTH CORPORATION (TW) 2018-03-29 US disclosed
EP-3299373-A2 MEDICARPIN, ITS DERIVATIVES, MANUFACTURING METHOD THEREOF PhytoHealth Corporation (TW) 2018-03-28 EP disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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 (2 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-20180086772-A1 MEDICARPIN, ITS DERIVATIVES, MANUFACTURING METHOD THEREOF SHARPIN, TIPARP, MYADM HDAC8 4603/4885MAOB 1213/4885ABCB1 1037/4885
US-10385061-B2 Medicarpin, its derivatives, manufacturing method thereof SHARPIN, ATP6V1B1, REN HDAC8 4358/4885MAOB 1618/4885ABCB1 120/4885

“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.