SCHEMBL601124

SCHEMBL601124

CC(C)CCC(C)CCCO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
BLM P54132 1/20 0.43
PTPN1 P18031 2/20 0.42
ALOX15 P16050 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
ACE2 Q9BYF1 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1658723 0.92 LMNA (0.57) LMNABLMPTPN1ALOX15MEN1
SCHEMBL10045742 0.89 LMNA (0.68) LMNABLMPTPN1ALOX15MEN1
SCHEMBL10535028 0.89 LMNA (0.68) LMNABLMPTPN1ALOX15MEN1
SCHEMBL317789 0.89 LMNA (0.68) LMNABLMPTPN1ALOX15MEN1
SCHEMBL316503 0.89 LMNA (0.68) LMNABLMPTPN1ALOX15MEN1
SCHEMBL325283 0.88 LMNA (0.47) LMNABLMPTPN1ALOX15MEN1
SCHEMBL1301687 0.87 LMNA (0.59) LMNABLMPTPN1ALOX15MEN1
SCHEMBL4879561 0.86 ALDH1A1 (0.46) LMNABLMPTPN1ALOX15MEN1
SCHEMBL28949511 0.83 TSHR (0.50) LMNABLMPTPN1ALOX15ACE2
SCHEMBL62567 0.82

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076767-A Method and formulation for producing an optical metal oxide layer 默克专利有限公司 2024-05-24 CN disclosed
WO-2023057401-A1 METHOD AND FORMULATION FOR PREPARING OPTICAL METAL OXIDE LAYERS MERCK PATENT GMBH (DE) 2023-04-13 WO disclosed
US-8846739-B2 TGR5 agonists EXELIXIS PATENT COMPANY LLC (US) 2014-09-30 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 US disclosed
WO-2014100021-A1 TGR5 AGONISTS: IMIDAZOLE AND TRIAZOLE COMPOUNDS CONTAINING A QUATERNARY NITROGEN EXELIXIS, INC. (US) 2014-06-26 WO disclosed
WO-2014100025-A1 TGR5 AGONISTS HAVING AN IMIDAZOLE OR TRIAZOLE CORE WITH SUBTITUENT HAVING A QUATERNARY NITROGEN EXELIXIS, INC. (US) 2014-06-26 WO disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20130303505-A1 TGR5 AGONISTS EXELIXIS PATENT COMPANY LLC 2013-11-14 US disclosed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
EP-2396304-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY Exelixis, Inc. (US) 2011-12-21 EP disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2011071565-A1 TGR5 AGONISTS EXELIXIS, INC. (US) 2011-06-16 WO disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION 2011-04-07 US disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 WO disclosed
WO-2010091104-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS EXELIXIS, INC. (US) 2010-08-12 WO disclosed
WO-2010091164-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE EXELIXIS, INC. (US) 2010-08-12 WO disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 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 (4 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 LMNA 1708/4885BLM 4418/4885PTPN1 4528/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 LMNA 1727/4885BLM 4563/4885PTPN1 4088/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 LMNA 3406/4885BLM 3968/4885PTPN1 1280/4885
US-20130303505-A1 TGR5 AGONISTS GCGR, NPY5R, TBXA2R LMNA 2547/4885BLM 1097/4885PTPN1 775/4885

“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.