SCHEMBL6300156

SCHEMBL6300156

C=C(C)C(=O)CC(=O)N=C=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28969701 0.77
SCHEMBL13223640 0.75
SCHEMBL27830374 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL16140641 0.72 ALDH1A1 (0.45) ALDH1A1
SCHEMBL14150786 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL157138 0.69
SCHEMBL28073444 0.69
SCHEMBL3512331 0.68
SCHEMBL515405 0.68
Fluoride SCHEMBL8839901 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334236-B2 Lactam-based compounds with a urethane or urea functional group, and uses thereof ISP INVESTMENTS INC. (US) 2016-05-10 US disclosed
US-9334236-B2 Lactam-based compounds with a urethane or urea functional group, and uses thereof ISP INVESTMENTS INC. (US) 2016-05-10 US disclosed
US-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS LLC 2012-06-14 US disclosed
US-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS LLC 2012-06-14 US disclosed
WO-2011022457-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-02-24 WO disclosed
US-6864302-B2 Ink jet recording method and ink set therefor SEIKO EPSON CORPORATION (JP) 2005-03-08 US disclosed
US-20020077385-A1 Ink jet recording method and ink set therefor SEIKO EPSON CORPORATION 2002-06-20 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-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF CUTA, PUF60, PAM ALDH1A1 1456/4885

“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.