SCHEMBL686083

SCHEMBL686083

CCC(=O)CCNC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
DRD4 P21917 3/20 0.33
DRD2 P14416 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL10220621 0.88 POLB (0.46) POLBTDP1EPHX1KDM4EMAPT
SCHEMBL10216641 0.84 EPHX1 (0.46) POLBEPHX1KDM4EMEN1KMT2A
SCHEMBL24136527 0.80 MEN1 (0.40) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL16316312 0.78 POLB (0.50) POLBEPHX1KDM4EMAPTMEN1
SCHEMBL20021564 0.77 TDP1 (0.41) POLBTDP1KDM4EMAPTMEN1
SCHEMBL2861129 0.77 POLB (0.47) POLBKDM4EKMT2ADRD4DRD2
SCHEMBL684805 0.77 POLB (0.43) POLBEPHX1KDM4EMAPTMEN1
SCHEMBL16185833 0.77 POLB (0.43) POLBEPHX1KDM4EMAPTMEN1
SCHEMBL2293893 0.77 KDM4C (0.48) POLBEPHX1KDM4EMAPTKMT2A
SCHEMBL5544335 0.76 POLB (0.42) POLBEPHX1KDM4EMAPTMEN1

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-20150190556-A1 DRUGS WITH IMPROVED HYDROPHOBICITY FOR INCORPORATION IN MEDICAL DEVICES ABRAXIS BIOSCIENCE LLC (US) 2015-07-09 US disclosed
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2012-05-24 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US 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 (2 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-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 POLB 1846/4885TDP1 3537/4885EPHX1 1184/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 POLB 3185/4885TDP1 2903/4885EPHX1 1592/4885

“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.