SCHEMBL2586098

SCHEMBL2586098

COC(=O)CCCCCNCCCCCC(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
LMNA P02545 3/20 0.55
ALDH1A1 P00352 1/20 0.55
EPHX2 P34913 4/20 0.50
PAOX Q6QHF9 3/20 0.50
CA12 O43570 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.45

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
SCHEMBL16730520 1.00 TSHR (0.64) TSHRLMNAALDH1A1EPHX2PAOX
SCHEMBL20283628 1.00 TSHR (0.64) TSHRLMNAALDH1A1EPHX2PAOX
SCHEMBL8214934 1.00 TSHR (0.64) TSHRLMNAALDH1A1EPHX2PAOX
Hydrochloric Acid SCHEMBL2579652 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2PAOX
Hydrochloric Acid SCHEMBL2583424 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2PAOX
SCHEMBL23132220 0.92 TSHR (0.54) TSHRLMNAALDH1A1EPHX2PAOX
SCHEMBL132401 0.92 TSHR (0.54) TSHRLMNAALDH1A1EPHX2PAOX
SCHEMBL13903720 0.92 CA12 (0.59) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL13903715 0.92 CA12 (0.59) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL18641686 0.92 TSHR (0.54) TSHRLMNAALDH1A1EPHX2PAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269943-A1 RADIOLABELED ANNEXINS UNIVERSITY OF WASHINGTON (US) 2011-11-03 US disclosed
EP-1426062-A2 Radiolabeled annexins NEORX CORPORATION (US) 2004-06-09 EP disclosed
EP-0918547-B1 RADIOLABELED ANNEXINS NEORX CORP (US) 2004-03-10 EP disclosed
US-20020137672-A1 Radiolabeled annexins KASINA SUDHAKAR (US) 2002-09-26 US disclosed
US-5968477-A IMAGING AGENTS WITH SULFHYDRYL GROUPS AND HEXOSE GROUPS NEORX CORPORATION (US) 1999-10-19 US disclosed
EP-0918547-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1999-06-02 EP disclosed
WO-1997046098-A9 CLUSTER CLEARING AGENTS 1998-08-06 WO disclosed
WO-1998004294-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1998-02-05 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 (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-20110269943-A1 RADIOLABELED ANNEXINS ANXA11, ANXA1, ANXA3 TSHR 679/4885LMNA 3549/4885ALDH1A1 4269/4885
US-20020137672-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 TSHR 679/4885LMNA 3549/4885ALDH1A1 4269/4885

“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.