SCHEMBL3752235

SCHEMBL3752235

C=C(C)C(=O)ONC(=O)CCCCC(=O)NOC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 4/20 0.38
RECQL P46063 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 2/20 0.33
CNR2 P34972 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL3754716 0.96 ALDH1A1 (0.46) ALDH1A1TSHRRECQLHDAC3HDAC1
SCHEMBL3749937 0.93 ALDH1A1 (0.48) ALDH1A1TSHRRECQLTHRBTDP1
SCHEMBL30513275 0.91 TSHR (0.53) TSHRHSP90AA1CNR2TRPV1FAAH
SCHEMBL3748063 0.89 ALDH1A1 (0.52) ALDH1A1TSHRTHRBTDP1
SCHEMBL14798778 0.86 PHF8 (0.43) ALDH1A1TSHRTHRB
SCHEMBL27826454 0.86 ALDH1A1 (0.41) ALDH1A1TSHRTHRBTDP1
SCHEMBL6153042 0.84 ALDH1A1 (0.48) ALDH1A1TSHRTHRBTDP1GAA
SCHEMBL20886516 0.79 RECQL (0.41) ALDH1A1TSHRRECQLHDAC3HDAC1
SCHEMBL22852547 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTHRBTDP1
SCHEMBL28718766 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTHRBTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838699-B2 Embolization using degradable crosslinked hydrogels BIOSPHERE MEDICAL (US) 2010-11-23 US disclosed
US-7135593-B2 Degradable crosslinkers, and degradable crosslinked hydrogels comprising them BIOSPHERE MEDICAL, INC. (US) 2006-11-14 US disclosed
US-20050113285-A1 Degradable crosslinkers, and degradable crosslinked hydrogels comprising them WELLS FARGO BANK, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2005-05-26 US disclosed
US-6713646-B2 Degradable crosslinkers, and degradable crosslinked hydrogels comprising them BIOSPHERE MEDICAL 2004-03-30 US disclosed
US-20030215519-A1 Embolization using degradable crosslinked hydrogels WELLS FARGO BANK, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2003-11-20 US disclosed
US-20030199654-A1 DEGRADABLE CROSSLINKERS, AND DEGRADABLE CROSSLINKED HYDROGELS COMPRISING THEM WELLS FARGO BANK, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2003-10-23 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 (3 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-20050113285-A1 Degradable crosslinkers, and degradable crosslinked hydrogels comprising them GFER, RAD52, ESD ALDH1A1 497/4885TSHR 2627/4885RECQL 503/4885
US-20030199654-A1 DEGRADABLE CROSSLINKERS, AND DEGRADABLE CROSSLINKED HYDROGELS COMPRISING THEM GFER, RAD52, ESD ALDH1A1 497/4885TSHR 2627/4885RECQL 503/4885
US-20030215519-A1 Embolization using degradable crosslinked hydrogels PLG, PLAU, FGB ALDH1A1 1040/4885TSHR 1876/4885RECQL 441/4885

“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.