SCHEMBL3107600

SCHEMBL3107600

CCCC(C)CC[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL6884314 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTDP1LMNA
SCHEMBL6880598 0.83
SCHEMBL17335808 0.79 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL17318330 0.78
SCHEMBL3328089 0.76
SCHEMBL3328096 0.76
SCHEMBL11687618 0.76 ALDH1A1 (0.38) ALDH1A1TDP1LMNA
SCHEMBL1426861 0.76 BLM (0.41) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL9452676 0.74 ALDH1A1 (0.36) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL27548544 0.74 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CYP3A4NFKB1

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
US-20100256098-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2010-10-07 US disclosed
US-20100256098-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2010-10-07 US disclosed
EP-2188296-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2010-05-26 EP disclosed
WO-2009029844-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-05 WO disclosed
WO-2009029844-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-05 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-20100256098-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS WAPL, WDR1, DUSP1 ALDH1A1 1064/4885TSHR 4260/4885TDP1 1049/4885

“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.