SCHEMBL20985204

SCHEMBL20985204

C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 3/20 0.54
MAPK1 P28482 5/20 0.52
GMNN O75496 3/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HSP90AA1 P07900 2/20 0.52
BLM P54132 2/20 0.52
NR1H4 Q96RI1 2/20 0.52
TP53 P04637 1/20 0.52
CYP2C9 P11712 1/20 0.52
HIF1A Q16665 1/20 0.52
GLA P06280 1/20 0.51
PMP22 Q01453 1/20 0.51
PAM P19021 1/20 0.45
CYP2C19 P33261 1/20 0.44

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
SCHEMBL9625918 0.89 MEN1 (0.60) TSHRLMNASMN1; SMN2CYP1A2MAPK1
SCHEMBL22207949 0.79 LMNA (0.57) TSHRLMNASMN1; SMN2CYP1A2MAPK1
SCHEMBL28314908 0.79 LMNA (0.49) TSHRLMNASMN1; SMN2CYP1A2MAPK1
SCHEMBL28916570 0.76 LMNA (0.62) TSHRLMNASMN1; SMN2CYP1A2MAPK1
SCHEMBL19923321 0.76 LMNA (0.62) TSHRLMNASMN1; SMN2CYP1A2MAPK1
SCHEMBL19923320 0.76 LMNA (0.62) TSHRLMNASMN1; SMN2CYP1A2MAPK1
SCHEMBL20742884 0.76 LMNA (0.62) TSHRLMNASMN1; SMN2CYP1A2MAPK1
SCHEMBL25287108 0.76 MEN1 (0.58) TSHRLMNACYP1A2MAPK1GMNN
SCHEMBL12152228 0.76 CYP1A2 (0.47) TSHRLMNASMN1; SMN2CYP1A2MAPK1
Levocarnitine Propionate SCHEMBL12137155 0.76 MEN1 (0.72) TSHRLMNASMN1; SMN2CYP1A2MAPK1

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-20260034086-A1 Pet Food Compositions Comprising Caprylic Acid And Docosahexaenoic Acid And/Or Eicosapetaenoic Acid For Use In Treating Struvite Urolithiasis HILL'S PET NUTRITION, INC. (US) 2026-02-05 US disclosed
US-12458617-B2 Pet food compositions comprising caprylic acid and docosahexaenoic acid and/or eicosapetaenoic acid for use in treating struvite urolithiasis HILL'S PET NUTRITION, INC. (US) 2025-11-04 US disclosed
EP-3709817-B2 COMPOSITIONS COMPRISING OMEGA-3 POLYUNSATURATED AND MEDIUM CHAIN FATTY ACIDS HILLS PET NUTRITION INC (US) 2025-10-22 EP disclosed
EP-3709817-B1 COMPOSITIONS COMPRISING OMEGA-3 POLYUNSATURATED AND MEDIUM CHAIN FATTY ACIDS HILLS PET NUTRITION INC (US) 2022-11-16 EP disclosed
US-20220202759-A1 Pet Food Compositions Comprising Caprylic Acid and Docosahexaenoic Acid and/or Eicosapetaenoic Acid for Use in Treating Struvite Urolithiasis HILL'S PET NUTRITION, INC. (US) 2022-06-30 US disclosed
US-10973244-B2 Compositions comprising omega-3 polyunsaturated and medium chain fatty acids HILLS PET NUTRITION, INC. (US) 2021-04-13 US disclosed
US-20200296996-A1 Compositions Comprising Omega-3 Polyunsaturated and Medium Chain Fatty Acids HILL'S PET NUTRITION, INC. (US) 2020-09-24 US disclosed
US-20190156919-A1 DETERMINING RELATIONSHIPS BETWEEN RISKS FOR BIOLOGICAL CONDITIONS AND DYNAMIC ANALYTES ARIVALE, INC. (US) 2019-05-23 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 (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-20260034086-A1 Pet Food Compositions Comprising Caprylic Acid And Docosahexaenoic Acid And/Or Eicosapetaenoic Acid For Use In Treating Struvite Urolithiasis FPR2, FPR1, FPR3 TSHR 764/4885LMNA 1957/4885SMN1; SMN2 4735/4885

“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.