SCHEMBL3686602

SCHEMBL3686602

CCC(C)C(C(N)=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
DPP4 P27487 5/20 0.34
DPP8 Q6V1X1 4/20 0.34
DPP9 Q86TI2 4/20 0.34
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 1/20 0.32
MME P08473 2/20 0.31
ACE P12821 2/20 0.31
CPA1 P15085 2/20 0.31
ACE2 Q9BYF1 2/20 0.31
ENPEP Q07075 2/20 0.31
DPP7 Q9UHL4 3/20 0.31
TSHR P16473 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
SCHEMBL3977092 0.90 CA1 (0.39) CA1CA2CA7CA14DPP4
SCHEMBL18826564 0.87 CA1 (0.40) CA1CA2CA7CA14DPP4
SCHEMBL29170630 0.81 SLC7A5 (0.36) ALDH1A1
SCHEMBL23559935 0.78 ENPEP (0.34) ENPEPTSHR
SCHEMBL25853900 0.78 ECE1 (0.36)
SCHEMBL82496 0.78 SLC7A5 (0.38) ALDH1A1EPHX1
SCHEMBL27806633 0.78 SLC7A5 (0.38) ALDH1A1EPHX1
SCHEMBL3499612 0.77 ALDH1A1 (0.42) CA1CA2CA7CA14ALDH1A1
SCHEMBL20489982 0.77 CA1 (0.38) CA1CA2CA7CA14DPP4
SCHEMBL13311446 0.77 ALDH1A1 (0.42) CA1CA2CA7CA14ALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190125701-A1 Compositions and Methods for Treating Viral Infection in Mammals UNIV YALE (US) 2019-05-02 US claimed
EP-3452172-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS Yale University (US) 2019-03-13 EP claimed
WO-2017192799-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS YALE UNIVERSITY (US) 2017-11-09 WO claimed
EP-1761238-A1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME Takasago International Corporation (JP) 2007-03-14 EP claimed
WO-2005115325-A1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-12-08 WO claimed
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
US-20190125701-A1 Compositions and Methods for Treating Viral Infection in Mammals UNIV YALE (US) 2019-05-02 US disclosed
US-20190125701-A1 Compositions and Methods for Treating Viral Infection in Mammals UNIV YALE (US) 2019-05-02 US disclosed
EP-3452172-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS Yale University (US) 2019-03-13 EP disclosed
WO-2017192799-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS YALE UNIVERSITY (US) 2017-11-09 WO disclosed
US-20160282672-A1 LIQUID CRYSTAL DISPLAY AND METHOD OF MANUFACTURING THE SAME TCL CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-09-29 US disclosed
EP-2262534-A1 PALATABLE SOLID COMPOSITION COMPRISING ANTACID AND SALIVA STIMULANT Bayer Consumer Care AG (CH) 2010-12-22 EP disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
WO-2009112156-A1 PALATABLE SOLID COMPOSITION COMPRISING ANTACID AND SALIVA STIMULANT BAYER CONSUMER CARE AG (CH) 2009-09-17 WO disclosed
EP-1902043-A1 VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME Takasago International Corporation (JP) 2008-03-26 EP disclosed
EP-1761238-A1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME Takasago International Corporation (JP) 2007-03-14 EP disclosed
WO-2007004740-A1 VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-01-11 WO disclosed
WO-2005115325-A1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-12-08 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-20190125701-A1 Compositions and Methods for Treating Viral Infection in Mammals RPL35, PIGS, HAVCR2 CA1 334/4885CA2 718/4885CA7 206/4885

“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.