SCHEMBL3040467

SCHEMBL3040467

CCN(CC)c1ccc(C=Cc2ccc(N(OCCO)OCCO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
ALDH3A1 P30838 1/20 0.47
ALDH1A3 P47895 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 7/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
USP2 O75604 2/20 0.43
RECQL P46063 2/20 0.43
POLB P06746 2/20 0.43
TLR9 Q9NR96 1/20 0.43
FGFR1 P11362 1/20 0.41
CTNNB1 P35222 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL7716103 0.88 APP (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8844278 0.84 ALDH1A1 (0.42) ALDH1A1ALDH3A1ALDH1A3KDM4EMAPT
SCHEMBL8171054 0.79 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL2298602 0.79 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL2298605 0.79 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL8171052 0.79 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL8844230 0.78 ALDH1A1 (0.46) ALDH1A1ALDH3A1ALDH1A3KDM4EMAPT
SCHEMBL3025045 0.78 ALDH1A1 (0.55) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL3025048 0.78 ALDH1A1 (0.55) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL14283633 0.75 ALDH1A1 (0.65) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA

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-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-20100207078-A1 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2010-08-19 US disclosed
WO-2008008481-A2 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER GEORGIA TECH RESEARCH CORPORATION (US) 2008-01-17 WO disclosed
US-20020185634-A1 Two-photon or higher-order absorbing optical materials and methods of use CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-12-12 US disclosed
US-6267913-B1 IN HOLOGRAPHYL, BIOLOGY, OPTICAL DATA STORAGE CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-07-31 US disclosed
WO-1998021521-A9 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INST OF TECHN (US) 2000-03-02 WO disclosed
WO-1998021521-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-05-22 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-20100207078-A1 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER GPX4, ERCC4, CYBA ALDH1A1 947/4885ALDH3A1 435/4885ALDH1A3 116/4885

“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.