SCHEMBL2398973

SCHEMBL2398973

COC(=O)CCCCC(Cl)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SLC1A1 P43005 1/20 0.42
▸ PABPC1 P11940 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ RECQL P46063 2/20 0.38
▸ TBXAS1 P24557 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KAT2B Q92831 1/20 0.36

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
SCHEMBL2400840 1.00 TSHR (0.52) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL10676771 0.86 TSHR (0.50) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL10682900 0.86 TSHR (0.50) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL10676780 0.86 TSHR (0.50) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL3601913 0.82 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL6138555 0.80 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL3573769 0.78 TSHR (0.54) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL5844802 0.78 TBXAS1 (0.48) TSHRLMNAALDH1A1TBXAS1
SCHEMBL233224 0.78 LTA4H (0.56) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL28580826 0.78 PAOX (0.41) TSHRLMNAALDH1A1TBXAS1

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-20130274470-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 — — US disclosed
US-20110224431-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-09-15 — — 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-20130274470-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof HDHD5, DCX, CLK2 TSHR 1020/4885L3MBTL1 2227/4885LMNA 4136/4885
US-20110224431-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof HDHD5, DCX, CLK2 TSHR 1020/4885L3MBTL1 2227/4885LMNA 4136/4885

“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.

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