SCHEMBL17696579

SCHEMBL17696579

CCOC(=O)CCNC(=O)CC1CCCC/C=C/C1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KLK7 P49862 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL17694175 0.84 ALDH1A1 (0.42) ALDH1A1TDP1USP2ALOX15POLB
SCHEMBL18025043 0.79 TDP1 (0.38) ALDH1A1TDP1USP2ALOX15POLB
SCHEMBL21553949 0.77 TDP1 (0.37) ALDH1A1TDP1USP2ALOX15POLB
SCHEMBL4267252 0.71 MAPT (0.33) ALDH1A1TDP1USP2ALOX15LMNA
SCHEMBL10394015 0.69 ALDH1A1 (0.63) ALDH1A1TDP1USP2ALOX15MEN1
SCHEMBL15750244 0.67 ALDH1A1 (0.32) ALDH1A1TDP1USP2ALOX15SMN1; SMN2
SCHEMBL3532178 0.66 EPHX2 (0.45) ALDH1A1TDP1USP2ALOX15POLB
SCHEMBL15750316 0.66 USP2 (0.31) ALDH1A1TDP1USP2ALOX15
SCHEMBL10934266 0.65 ALDH1A1 (0.42) ALDH1A1TDP1USP2ALOX15POLB
SCHEMBL5571264 0.65 KMT2A (0.52) ALDH1A1USP2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 US disclosed
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2016-04-21 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-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS ALDH1A1 935/4885TDP1 2839/4885USP2 393/4885
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS ALDH1A1 935/4885TDP1 2839/4885USP2 393/4885

“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.