SCHEMBL9918955

SCHEMBL9918955

COCCOCC(C)OCC(C)N1C(=O)C=CC1=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL15834901 0.98 TDP1 (0.33) TDP1MGLL
SCHEMBL17300572 0.90
SCHEMBL10297379 0.89 MGLL (0.37) MGLL
SCHEMBL19302545 0.89 ALDH1A1 (0.31)
SCHEMBL14983812 0.85 TDP1 (0.31) TDP1
SCHEMBL15082423 0.84 TDP1 (0.30) TDP1
SCHEMBL5075511 0.82 MGLL (0.42) TDP1MGLL
SCHEMBL16786513 0.80 ALDH1A1 (0.38) MGLL
SCHEMBL11932954 0.80 ALDH1A1 (0.32) MGLL
SCHEMBL9922280 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247317-A1 COMPOUNDS, MONOMERS, AND POLYMERS CONTAINING A CARBONATE LINKAGE ISP INVESTMENTS LLC (US) 2017-08-31 US disclosed
US-9650335-B2 Compounds, monomers, and polymers containing a carbonate linkage ISP INVESTMENTS LLC (US) 2017-05-16 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-20150044161-A1 MULTIFUNCTIONAL POLYMERS ISP INVESTMENTS INC. (US) 2015-02-12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150044161-A1 MULTIFUNCTIONAL POLYMERS PUF60, PARG, PARN TDP1 2910/4885MGLL 479/4885
US-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF CUTA, PUF60, PAM TDP1 3431/4885MGLL 1116/4885
US-20170247317-A1 COMPOUNDS, MONOMERS, AND POLYMERS CONTAINING A CARBONATE LINKAGE PARN, CD38, PARG TDP1 3174/4885MGLL 3690/4885

“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.