SCHEMBL4772197

SCHEMBL4772197

COc1cc(-c2cc3ccccc3c(=O)[nH]2)ccc1OCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.47
GUSB P08236 2/20 0.46
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP13 P45452 1/20 0.42
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
TNKS2 Q9H2K2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
CDC25B P30305 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL4766308 0.82 GUSB (0.60) TNKSGUSBCDK4CCND1TNKS2
SCHEMBL4766918 0.81 TNKS (0.47) TNKSCTSVCTSLMMP13THRB
SCHEMBL11657506 0.74 RAB9A (0.53) CTSVCTSLMEN1POLBKMT2A
Acetone SCHEMBL11666554 0.72 SRD5A1 (0.52) CTSVCTSLMEN1POLBKMT2A
SCHEMBL19225762 0.71 KDM4E (0.51) MEN1KMT2ASMN1; SMN2
SCHEMBL4767052 0.70 ALDH1A1 (0.48) TNKSSMN1; SMN2APAF1TDP2CDC25B
SCHEMBL11655564 0.70 RAB9A (0.53) CTSVCTSLMEN1KMT2ASMN1; SMN2
SCHEMBL2774635 0.70 PDE4A (0.55) CTSVCTSLPOLBSMN1; SMN2CYP1A1
SCHEMBL2427338 0.70 TNKS (0.53) TNKSMEN1KMT2AMMP13TNKS2
SCHEMBL4769021 0.70 TNKS (0.64) TNKSGUSBMEN1KMT2ATNKS2

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 2508/4885GUSB 4857/4885CTSV 4109/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TNKS 2461/4885GUSB 4864/4885CTSV 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.