SCHEMBL9973818

SCHEMBL9973818

C[N+](C)(CCC[N+](C)(C)CC(=O)O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
APEX1 P27695 1/20 0.50
BBOX1 O75936 8/20 0.46
ACHE P22303 1/20 0.33
FFAR3 O14843 1/20 0.33
HTT P42858 1/20 0.32
SLC22A6 Q4U2R8 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
SCHEMBL14075503 0.92 TSHR (0.50) TSHRLMNAALDH1A1APEX1BBOX1
SCHEMBL9242040 0.87 TSHR (0.46) TSHRLMNAALDH1A1APEX1BBOX1
SCHEMBL13922325 0.87 DNM1 (0.48) TSHRLMNAALDH1A1APEX1BBOX1
SCHEMBL2844095 0.85 BBOX1 (0.45) TSHRLMNAALDH1A1APEX1BBOX1
Hydrochloric Acid SCHEMBL6427071 0.85 ALDH1A1 (0.48) TSHRLMNAALDH1A1APEX1BBOX1
SCHEMBL14075508 0.85 MEN1 (0.50) TSHRLMNAALDH1A1APEX1BBOX1
SCHEMBL9917199 0.84 HTT (0.58) TSHRALDH1A1HTTSLC22A6
SCHEMBL308688 0.84 HTT (0.58) TSHRALDH1A1HTTSLC22A6
SCHEMBL9242433 0.84 GPR84 (0.44) TSHRLMNAALDH1A1APEX1BBOX1
SCHEMBL8773947 0.84 HTT (0.58) TSHRALDH1A1HTTSLC22A6

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
US-20150342183-A1 NITROGEN CONTAINING SURFACTANTS FOR AGRICULTURAL USE AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-12-03 US disclosed
US-9137988-B2 Nitrogen containing surfactants for agricultural use AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-09-22 US disclosed
US-20120157313-A1 NITROGEN CONTAINING SURFACTANTS FOR AGRICULTURAL USE AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-06-21 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-20120157313-A1 NITROGEN CONTAINING SURFACTANTS FOR AGRICULTURAL USE CHRM3, SGMS2, NOS3 TSHR 2534/4885LMNA 3124/4885ALDH1A1 4600/4885
US-20150342183-A1 NITROGEN CONTAINING SURFACTANTS FOR AGRICULTURAL USE CHRM3, SGMS2, NOS3 TSHR 2534/4885LMNA 3124/4885ALDH1A1 4600/4885

“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.