SCHEMBL25239509

SCHEMBL25239509

O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1cc2ccc([N+](=O)[O-])cc2oc1=O)NCCc1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 12/20 0.60
AKR1B1 P15121 11/20 0.60
AKR1A1 P14550 2/20 0.53
CBR1 P16152 2/20 0.53
AKR1C4 P17516 2/20 0.53
AKR1C3 P42330 2/20 0.53
AKR1C2 P52895 2/20 0.53
AKR1C1 Q04828 2/20 0.53
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTDSP1 Q9GZU7 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
SCHEMBL25279702 0.90 AKR1B10 (0.75) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL25708668 0.89 AKR1B10 (0.77) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL25235579 0.86 AKR1B10 (0.64) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL43817 0.83 AKR1B10 (0.59) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL25710676 0.78 AKR1B10 (0.56) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL15298977 0.75 MAPT (0.47) MEN1KMT2AMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL21806629 0.75 AKR1B10 (0.49) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL25508901 0.73 AKR1B10 (0.64) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL15298154 0.72 HPGD (0.40) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL13534005 0.72 AKR1B10 (0.63) AKR1B10AKR1B1AKR1A1CBR1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4204398-A2 CONJUGATES INCLUDING A DETECTABLE MOIETY Ventana Medical Systems, Inc. (US) 2023-07-05 EP disclosed
US-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. 2023-06-22 US disclosed
US-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. 2023-06-22 US disclosed
CN-115989221-A Conjugates comprising a detectable moiety 文塔纳医疗系统公司 2023-04-18 CN disclosed
WO-2022043491-A2 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. (US) 2022-03-03 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-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY CD2BP2, CD47, CD44 AKR1B10 1579/4885AKR1B1 1876/4885AKR1A1 2149/4885

“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.