SCHEMBL2835567

SCHEMBL2835567

C=C(C)C(=O)CCCCCN=C=O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.34
CES1 P23141 4/20 0.34

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
SCHEMBL1502671 0.98 CES1 (0.32) CES2CES1
SCHEMBL1567511 0.92 CES1 (0.31) CES2CES1
SCHEMBL87124 0.84
SCHEMBL14402711 0.82 NAAA (0.30)
Methacrylic Acid SCHEMBL27842089 0.82 NAAA (0.30)
Acetone SCHEMBL28639695 0.80 MIF (0.36)
Acetone SCHEMBL9650262 0.80 MIF (0.36)
Acetic Acid SCHEMBL28421734 0.78 FFAR3 (0.35)
SCHEMBL12697091 0.77 CES1 (0.48) CES2CES1
SCHEMBL28117761 0.76 ALDH1A1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210812-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF SHOWA DENKO K.K. (JP) 2010-08-19 US disclosed
US-20100087611-A1 URETHANE COMPOUND, CURABLE COMPOSITION CONTAINING THE SAME, AND CURED PRODUCT THEREOF SHOWA DENKO K.K. (JP) 2010-04-08 US disclosed
EP-2172509-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF Showa Denko K.K. (JP) 2010-04-07 EP disclosed
EP-2143739-A1 URETHANE COMPOUND, CURABLE COMPOSITION CONTAINING THE SAME, AND CURED PRODUCT OF THE COMPOSITION Showa Denko K.K. (JP) 2010-01-13 EP 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-20100087611-A1 URETHANE COMPOUND, CURABLE COMPOSITION CONTAINING THE SAME, AND CURED PRODUCT THEREOF ITCH, GLI1, UNC119 CES2 1369/4885CES1 3698/4885

“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.