SCHEMBL9918948

SCHEMBL9918948

C=C(C)C(=O)NCC[N+](C)(C)CCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
DNM1 Q05193 8/20 0.47
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 2/20 0.40
RAD52 P43351 2/20 0.40
LMNA P02545 1/20 0.40
EPHX1 P07099 4/20 0.39
PLA2G2A P14555 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL5713236 0.94 HTT (0.48) HTTDNM1KMT2ALMNAEPHX1
SCHEMBL290065 0.94 HTT (0.48) HTTDNM1KMT2ALMNAEPHX1
SCHEMBL16799240 0.94 HTT (0.48) HTTDNM1KMT2ALMNAEPHX1
SCHEMBL16798891 0.94 HTT (0.48) HTTDNM1KMT2ALMNAEPHX1
SCHEMBL13766065 0.94 HTT (0.48) HTTDNM1KMT2ALMNAEPHX1
SCHEMBL15579565 0.94 HTT (0.48) HTTDNM1KMT2ALMNAEPHX1
SCHEMBL15830122 0.93 DNM1 (0.41) HTTDNM1KMT2ALMNAEPHX1
Bromide SCHEMBL2371393 0.92 DNM1 (0.48) HTTDNM1KMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL18426217 0.92 HTT (0.47) HTTDNM1KMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL331221 0.92 HTT (0.47) HTTDNM1KMT2AHSP90AA1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751866-B2 Hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds ISP INVESTMENTS LLC (US) 2017-09-05 US disclosed
US-9751866-B2 Hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds ISP INVESTMENTS LLC (US) 2017-09-05 US disclosed
US-20170247317-A1 COMPOUNDS, MONOMERS, AND POLYMERS CONTAINING A CARBONATE LINKAGE ISP INVESTMENTS LLC (US) 2017-08-31 US disclosed
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-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-20150353666-A1 POLYMERS POLYMERIZED FROM AT LEAST FOUR MONOMERS, AND COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INS. (US) 2015-12-10 US disclosed
US-20150353666-A1 POLYMERS POLYMERIZED FROM AT LEAST FOUR MONOMERS, AND COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INS. (US) 2015-12-10 US disclosed
US-20150344461-A1 HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS ISP INVESTMENTS INC. (US) 2015-12-03 US disclosed
US-20150344461-A1 HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS ISP INVESTMENTS INC. (US) 2015-12-03 US disclosed
US-20150044161-A1 MULTIFUNCTIONAL POLYMERS ISP INVESTMENTS INC. (US) 2015-02-12 US disclosed
US-20150044161-A1 MULTIFUNCTIONAL POLYMERS ISP INVESTMENTS INC. (US) 2015-02-12 US disclosed
WO-2013162766-A1 MULTIFUNCTIONAL POLYMERS ISP INVESTMENTS INC. (US) 2013-10-31 WO 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 (5 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-20150353666-A1 POLYMERS POLYMERIZED FROM AT LEAST FOUR MONOMERS, AND COMPOSITIONS AND USES THEREOF ADSL, MMAB, ACMSD HTT 1543/4885DNM1 1607/4885KMT2A 2212/4885
US-20150044161-A1 MULTIFUNCTIONAL POLYMERS PUF60, PARG, PARN HTT 1768/4885DNM1 2017/4885KMT2A 2844/4885
US-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF CUTA, PUF60, PAM HTT 1000/4885DNM1 3095/4885KMT2A 1064/4885
US-20150344461-A1 HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS TST, AHR, ALOX12 HTT 294/4885DNM1 4561/4885KMT2A 1758/4885
US-20170247317-A1 COMPOUNDS, MONOMERS, AND POLYMERS CONTAINING A CARBONATE LINKAGE PARN, CD38, PARG HTT 491/4885DNM1 290/4885KMT2A 530/4885

“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.