SCHEMBL3211263

SCHEMBL3211263

COCCOc1ccc(C=O)c(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.51
PTPN1 P18031 3/20 0.47
ERN1 O75460 3/20 0.46
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
NPC1 O15118 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TUBB1 Q9H4B7 1/20 0.43
CCNB2 O95067 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
SCHEMBL4567002 0.88 MDM2 (0.50) HDAC8PTPN1ERN1MAOBMAOA
SCHEMBL1963431 0.88 HDAC8 (0.52) HDAC8PTPN1ERN1MAOBMAOA
SCHEMBL865350 0.87 MAOA (0.58) HDAC8PTPN1ERN1MAOBMAOA
SCHEMBL1311076 0.86 HDAC8 (0.65) HDAC8ERN1MAOBNPC1KDM4E
SCHEMBL1445747 0.85 MAOB (0.50) HDAC8PTPN1ERN1MAOBMAOA
SCHEMBL3208391 0.84 HDAC8 (0.64) HDAC8KDM4ELMNAMAPTALDH1A1
SCHEMBL3208404 0.84 HDAC8 (0.64) HDAC8KDM4ELMNAMAPTALDH1A1
SCHEMBL435043 0.83 ALDH1A1 (0.61) HDAC8PTPN1ERN1MAOBMAOA
SCHEMBL3370062 0.82 MAOB (0.52) HDAC8PTPN1ERN1MAOBMAOA
SCHEMBL3208113 0.82 KDM4E (0.44) HDAC8MAOBMAOANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106660997-B Salts of monocyclic pyridine derivatives and crystals thereof 卫材R&D管理有限公司 2019-05-21 CN disclosed
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
CN-101282725-A Therapeutic agent for diabetes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-10-08 CN disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 HDAC8 789/4885PTPN1 596/4885ERN1 2911/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 HDAC8 663/4885PTPN1 583/4885ERN1 3261/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 HDAC8 789/4885PTPN1 596/4885ERN1 2911/4885

“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.