SCHEMBL4552824

SCHEMBL4552824

C=CCC(=O)c1cc(O)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 2/20 0.39
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NOS2 P35228 3/20 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
SCHEMBL9251464 0.82 CA12 (0.52) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL9249030 0.79 HSP90AB1 (0.59) ALDH1A1KMT2AGAAMEN1MAPT
SCHEMBL30267852 0.77 HSP90AB1 (0.61) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL9325505 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL459040 0.77 HSP90AB1 (0.61) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL4624113 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL30342996 0.75 CHRNA7 (0.44) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL22995621 0.74 KMT2A (0.45) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL7139595 0.74 HSD17B3 (0.52) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL17052384 0.72 CYP3A4 (0.34) KDM4EGAAHPGDTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910269-B1 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LAB PVT LTD (IN) 2013-09-18 EP disclosed
US-7608740-B2 Method of synthesizing key intermediates for the production of camptothecin derivatives Avra Laboratories Pvt. Ltd (IN) 2009-10-27 US disclosed
US-20080221358-A1 Method of Synthesizing Key Intermediates for the Production of Camptothecin Derivatives AVRA LABORATORIES PVT. LTD. (IN) 2008-09-11 US disclosed
EP-1910269-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES Avra Laboratories PVT. Ltd. (IN) 2008-04-16 EP disclosed
WO-2007015259-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LABORATORIES PVT. LTD. (IN) 2007-02-08 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 (1 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-20080221358-A1 Method of Synthesizing Key Intermediates for the Production of Camptothecin Derivatives DHPS, TOP2A, HCCS ALDH1A1 1104/4885KDM4E 2772/4885KMT2A 3665/4885

“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.