SCHEMBL4272837

SCHEMBL4272837

CCOc1cccc(C(=O)C(C)[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ RECQL P46063 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ MAOB P27338 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ MAOA P21397 1/20 0.45

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
SCHEMBL4273531 0.84 CES2 (0.56) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL13689273 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL14490203 0.81 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL9043907 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL10908866 0.77 KMT2A (0.49) ALDH1A1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL4273163 0.76 CA12 (0.47) ALDH1A1MAPTKDM4EALOX15POLB
SCHEMBL5139133 0.75 HPGD (0.68) ALDH1A1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL10740779 0.75 SLC6A2 (0.54) ALDH1A1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL4272093 0.75 CES2 (0.51) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL1333545 0.74 KMT2A (0.75) ALDH1A1KMT2AMAPTHPGDSMN1; SMN2

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 9 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 claimed
US-20080221358-A1 Method of Synthesizing Key Intermediates for the Production of Camptothecin Derivatives AVRA LABORATORIES PVT. LTD. (IN) 2008-09-11 — — US claimed
EP-1910269-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES Avra Laboratories PVT. Ltd. (IN) 2008-04-16 — — EP claimed
WO-2007015259-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LABORATORIES PVT. LTD. (IN) 2007-02-08 — — WO claimed
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 1104/4885KMT2A 3665/4885MAPT 3963/4885

“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.

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