SCHEMBL14103804

SCHEMBL14103804

C=C(N)NCCCCC=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
TSHR P16473 2/20 0.34
DDAH1 O94760 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
MAPT P10636 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7523952 0.80 HIF1A (0.39) HIF1ATSHRMAOAMAOBMAPT
SCHEMBL436282 0.78 ALOX15 (0.47) HIF1ATSHRMAOAMAOBFAAH
SCHEMBL1774553 0.77 MEN1 (0.50) HIF1ATSHRMAOAMAOBFAAH
SCHEMBL7283602 0.77 MEN1 (0.50) HIF1ATSHRMAOAMAOBFAAH
SCHEMBL5497459 0.77 MEN1 (0.50) HIF1ATSHRMAOAMAOBFAAH
Hydrochloric Acid SCHEMBL30374046 0.77 ALOX15 (0.46) HIF1ATSHRMAOAMAOBFAAH
SCHEMBL7435959 0.77 MEN1 (0.50) HIF1ATSHRMAOAMAOBFAAH
SCHEMBL24709159 0.74 TSHR (0.40) HIF1ATSHRMAOAMAOBFAAH
SCHEMBL7523949 0.73
SCHEMBL16468734 0.73 HIF1A (0.41) HIF1ATSHRMAPTKDM4EMAPK1

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
WO-2015110935-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. (US) 2015-07-30 WO disclosed
US-20140271468-A1 ASTHMA IMAGING PURDUE RESEARCH FOUNDATION (US) 2014-09-18 US disclosed
WO-2008101231-A2 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE ENDOCYTE, INC. (US) 2008-08-21 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-20140271468-A1 ASTHMA IMAGING CYSLTR1, FCER2, MRGPRX2 HIF1A 761/4885TSHR 1895/4885DDAH1 1109/4885

“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.