SCHEMBL1990445

SCHEMBL1990445

COCOC(=O)CCCCC(=O)OCOC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
DGKA P23743 1/20 0.50
PAM P19021 2/20 0.45
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
DNM1 Q05193 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
DUSP3 P51452 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14455123 0.91 CYP1A2 (0.59) TSHRDGKAPAMCYP1A2ALDH1A1
SCHEMBL29160902 0.91 DGKA (0.65) TSHRDGKAPAMMAPTALDH1A1
SCHEMBL9741789 0.89 DGKA (0.69) TSHRDGKAPAMMAPTALDH1A1
SCHEMBL6602446 0.89 DGKA (0.47) TSHRDGKAPAMMAPTALDH1A1
SCHEMBL22521636 0.89 DGKA (0.69) TSHRDGKAPAMMAPTALDH1A1
SCHEMBL24609200 0.89 DGKA (0.69) TSHRDGKAPAMMAPTALDH1A1
SCHEMBL11965460 0.89 DGKA (0.47) TSHRDGKAPAMMAPTALDH1A1
SCHEMBL20751620 0.89 DGKA (0.69) TSHRDGKAPAMMAPTALDH1A1
SCHEMBL28395913 0.88 TSHR (0.53) TSHRDGKAPAMCYP1A2MAPT
SCHEMBL881356 0.87 DGKA (0.56) TSHRDGKAPAMCYP1A2MAPT

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-8791258-B2 Pro-fluorescent probes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-29 US disclosed
US-20110130306-A1 PRO-FLUORESCENT PROBES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-02 US disclosed
WO-2009152102-A2 PRO-FLUORESCENT PROBES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-12-17 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-20110130306-A1 PRO-FLUORESCENT PROBES PRDX5, FIS1, PRDX3 TSHR 2920/4885DGKA 3910/4885PAM 207/4885

“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.