SCHEMBL4411974

SCHEMBL4411974

CCOC(=O)c1cc2cc(OCC3CCN(C)CC3)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.61
MAOA P21397 1/20 0.61
ACHE P22303 1/20 0.61
MAOB P27338 1/20 0.61
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 1/20 0.54
HRH3 Q9Y5N1 1/20 0.51
MMP2 P08253 2/20 0.50
MMP13 P45452 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL18114449 0.91 KDM4E (0.67) BCHEMAOAACHEMAOBKDM4E
SCHEMBL12848577 0.87 ITGB3 (0.50) BCHEMAOAACHEMAOBHRH3
SCHEMBL15623123 0.87 ITGB3 (0.52) BCHEMAOAACHEMAOBHRH3
SCHEMBL13596586 0.87 ITGB3 (0.54) BCHEMAOAACHEMAOBKDM4E
Hydrochloric Acid SCHEMBL4410239 0.86 ITGB3 (0.53) BCHEMAOAACHEMAOBKDM4E
SCHEMBL12795504 0.84 AKR1C3 (0.51) BCHEMAOAACHEMAOBHRH3
SCHEMBL9263164 0.81 KDM4E (0.80) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5024346 0.79 BCHE (0.60) BCHEMAOAACHEMAOBKDM4E
SCHEMBL13684384 0.77 MMP13 (0.60) BCHEMAOAACHEMAOBKDM4E
SCHEMBL862913 0.77 KDM4E (0.74) BCHEMAOAACHEMAOBKDM4E

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
EP-1994000-B1 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA BV (NL) 2017-08-23 EP disclosed
EP-1994000-B1 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA BV (NL) 2017-08-23 EP disclosed
US-8940784-B2 Water-soluble CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2015-01-27 US disclosed
US-8940784-B2 Water-soluble CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2015-01-27 US disclosed
US-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates Georg-August-Universität Göttingen Stiftung öffentlichen Rechts (ohne Bereich Humanmedizin) (DE) 2009-12-24 US disclosed
EP-1994000-A2 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES Syntarga B.V. (NL) 2008-11-26 EP disclosed
WO-2007089149-A2 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA B.V. (NL) 2007-08-09 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-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates PCNA, DCK, BAD BCHE 1427/4885MAOA 4528/4885ACHE 2645/4885

“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.