SCHEMBL4765877

SCHEMBL4765877

COc1ccc(Br)cc1CCCOC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.50
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4772614 0.96 ALDH1A1 (0.46) TNKS2ALDH1A1KDM4ETDP1MEN1
SCHEMBL4774238 0.89 TNKS2 (0.50) TNKS2ALDH1A1KDM4ETDP1MEN1
SCHEMBL3356391 0.80 KDM4E (0.48) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL3360919 0.80 KDM4E (0.48) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL4773161 0.78 ALDH1A1 (0.48) TNKS2ALDH1A1KDM4ETDP1MEN1
SCHEMBL2934176 0.77 KDM4E (0.48) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL18064025 0.77 ALDH1A1 (0.44) TNKS2ALDH1A1
SCHEMBL4272831 0.77 HPGD (0.47) TNKS2ALDH1A1MEN1KMT2AMTNR1A
SCHEMBL15562566 0.77 TAAR1 (0.53) TNKS2ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL7994543 0.76 KDM4E (0.55) ALDH1A1KDM4ETDP1MEN1KMT2A

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 TNKS2 2823/4885ALDH1A1 2989/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TNKS2 3115/4885ALDH1A1 1071/4885KDM4E 1058/4885

“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.