SCHEMBL7528260

SCHEMBL7528260

Cc1cc(=O)oc2c(C)c3oc(CNCCC(C)N(CCO)CCO)c(C)c3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 6/20 0.38
LMNA P02545 4/20 0.38
HPGD P15428 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
KCNA3 P22001 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2C P28335 1/20 0.36
ADORA2A P29274 1/20 0.36
HSD17B10 Q99714 3/20 0.35
UBE2N P61088 1/20 0.35
GAA P10253 3/20 0.35

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
SCHEMBL7524764 0.82 ALDH1A1 (0.42) KDM4EALDH1A1LMNAHPGDL3MBTL1
SCHEMBL3359666 0.77 MAOA (0.45) KDM4EALDH1A1LMNAHPGDL3MBTL1
Hydrochloric Acid SCHEMBL4194803 0.76 MAOA (0.44) KDM4EALDH1A1LMNAHPGDL3MBTL1
SCHEMBL3360995 0.74 MAOA (0.42) KDM4EALDH1A1LMNAHPGDL3MBTL1
SCHEMBL7524945 0.73 MAOB (0.40) KDM4EALDH1A1LMNAHPGDL3MBTL1
Hydrochloric Acid SCHEMBL7744392 0.73 MAOB (0.41) KDM4EALDH1A1LMNAHPGDL3MBTL1
Hydrochloric Acid SCHEMBL4182891 0.73 MAOA (0.41) KDM4EALDH1A1LMNAHPGDL3MBTL1
SCHEMBL7522508 0.73 MAOB (0.40) KDM4EALDH1A1LMNAHPGDL3MBTL1
SCHEMBL7525134 0.73 MAOB (0.40) KDM4EALDH1A1LMNAHPGDL3MBTL1
SCHEMBL4187788 0.72 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020182581-A1 Treating blood or blood products with compounds which have a mustard, aziridinium or aziridine group and a nucleic acid binding group CERUS CORPORATION (US) 2002-12-05 US disclosed
US-6410219-B1 DECTIONN OF PATHOGEN DEACTION OF PATHOGEN BY COMPLEXING CERUS CORPORATION 2002-06-25 US disclosed
US-6171777-B1 DECONTAMINATING BY CONTACTING WITH COMPOUND, THEN RECOVERING PRODUCT; DEACTIVATES HUMAN IMMUNODEFICIENCY AND HEPATITIS VIRUSES; BEFORE TRANSFUSIONS OR CLINICAL TESTS CERUS CORPORATION 2001-01-09 US 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-20020182581-A1 Treating blood or blood products with compounds which have a mustard, aziridinium or aziridine group and a nucleic acid binding group ADAR, CD99, AAAS KDM4E 2914/4885ALDH1A1 1184/4885LMNA 1108/4885

“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.