SCHEMBL5478671

SCHEMBL5478671

CCCC(=O)OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.40
DDB1 Q16531 4/20 0.40
CRBN Q96SW2 4/20 0.40
CHRM2 P08172 1/20 0.40
OPRM1 P35372 1/20 0.40
IKZF3 Q9UKT9 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL24833738 0.89 ALDH1A1 (0.39) ALDH1A1L3MBTL1DDB1CRBNTSHR
Hydrochloric Acid SCHEMBL7742015 0.88 CYP1A2 (0.43) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL5475099 0.87 CYP1A2 (0.39) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL3592001 0.86 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL2918755 0.86 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL13297907 0.86 DDB1 (0.43) ALDH1A1L3MBTL1CYP1A2DDB1CRBN
SCHEMBL2910295 0.86 L3MBTL1 (0.40) ALDH1A1L3MBTL1CYP1A2CYP2C19HPGD
SCHEMBL13167679 0.86 L3MBTL1 (0.41) ALDH1A1L3MBTL1CYP1A2HPGDDDB1
Hydrochloric Acid SCHEMBL7740778 0.85 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL2919200 0.85 L3MBTL1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP2C19HPGD

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
US-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-12-20 US claimed
WO-2005120577-A2 DERIVATIVES OF CHEMOTHERAPEUTIC AGENTS WITH A FORMALDEHYDE RELEASING MOEITY RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-12-22 WO claimed
US-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-12-20 US disclosed
US-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-12-20 US disclosed
US-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-12-20 US disclosed
WO-2005120577-A2 DERIVATIVES OF CHEMOTHERAPEUTIC AGENTS WITH A FORMALDEHYDE RELEASING MOEITY RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-12-22 WO disclosed
WO-2005120577-A2 DERIVATIVES OF CHEMOTHERAPEUTIC AGENTS WITH A FORMALDEHYDE RELEASING MOEITY RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-12-22 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-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety DHFR, FAU, MYD88 ALDH1A1 234/4885L3MBTL1 1489/4885CYP1A2 1012/4885

“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.