SCHEMBL4766918

SCHEMBL4766918

COc1cc(OCCOCc2ccccc2)ccc1-c1cc2ccccc2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.47
MMP13 P45452 2/20 0.41
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
CDC25B P30305 2/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
THRB P10828 1/20 0.39
KDR P35968 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL4771998 0.81 CDC25B (0.57) TNKSCDC25BAPAF1TDP2CASP3
SCHEMBL4772197 0.81 TNKS (0.47) TNKSMMP13CTSVCTSLCDC25B
SCHEMBL4766719 0.77 KDM4E (0.41) MMP13KDM4EMAPT
SCHEMBL4774175 0.75 THRB (0.52) TNKSCDC25BAPAF1TDP2CASP3
SCHEMBL4763653 0.74 KDM4E (0.63) TNKSCDC25BAPAF1TDP2CASP3
SCHEMBL4774288 0.72 CDC25B (0.60) TNKSCDC25BAPAF1TDP2CASP3
SCHEMBL29032384 0.70 PARP15 (0.48) CTSVCTSLKDM4EMAPTNPSR1
SCHEMBL6769077 0.70 TDP1 (0.57) KDM4EMAPT
SCHEMBL18643632 0.69 MMP13 (0.50) MMP13KDM4EPARP1
Hydrochloric Acid SCHEMBL4770743 0.69 PRMT5 (0.41) KDM4EMAPT

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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 TNKS 2508/4885MMP13 3522/4885CTSV 4109/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TNKS 2461/4885MMP13 3820/4885CTSV 4779/4885

“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.