SCHEMBL4273530

SCHEMBL4273530

CCC(=O)c1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 6/20 0.50
RECQL P46063 1/20 0.50
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C1 Q04828 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.47
BACE1 P56817 1/20 0.46
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 1/20 0.45
RAF1 P04049 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
SCHEMBL340249 0.87 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPTAKR1C3AKR1C2
SCHEMBL4272834 0.87 MAPT (0.60) SMN1; SMN2ALDH1A1MAPTRECQLLMNA
SCHEMBL20556392 0.83 MAPT (0.47) SMN1; SMN2MAPTLMNAHPGDKDM4E
SCHEMBL23549387 0.83 MAPT (0.50) SMN1; SMN2ALDH1A1MAPTRECQLLMNA
SCHEMBL269614 0.83 AKR1C3 (0.63) SMN1; SMN2ALDH1A1MAPTAKR1C3AKR1C2
SCHEMBL30580504 0.83 AKR1C3 (0.63) SMN1; SMN2ALDH1A1MAPTAKR1C3AKR1C2
SCHEMBL12326834 0.83 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPTAKR1C3AKR1C2
SCHEMBL4273160 0.83 HSP90AB1 (0.54) ALDH1A1MAPTLMNAKMT2ABACE1
SCHEMBL21395564 0.82 LMNA (0.56) SMN1; SMN2ALDH1A1MAPTAKR1C3AKR1C2
SCHEMBL6564101 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTAKR1C3AKR1C2

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 SMN1; SMN2 4757/4885ALDH1A1 1104/4885MAPT 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.