SCHEMBL4625216

SCHEMBL4625216

C=CCOC(=O)N(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 3/20 0.39
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
GAA P10253 2/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14855743 0.89 KMT2A (0.38) TDP1TSHRCYP3A4MEN1KMT2A
SCHEMBL14855765 0.89 TDP1 (0.37) TDP1TSHRCYP3A4MEN1KMT2A
SCHEMBL10893717 0.86 TDP1 (0.42) TDP1TSHRCYP3A4MEN1KMT2A
SCHEMBL16511253 0.86 TDP1 (0.37) TDP1TSHRCYP3A4MEN1KMT2A
SCHEMBL2539675 0.81 POLB (0.31) CHRNB2CHRNA4
SCHEMBL21445994 0.80 TDP1 (0.41) TDP1TSHRCYP3A4MEN1KMT2A
SCHEMBL536216 0.78
SCHEMBL797852 0.76
SCHEMBL15567757 0.76 TDP1 (0.47) TDP1TSHRCYP3A4MEN1KMT2A
SCHEMBL28234478 0.75 TDP1 (0.36) TDP1TSHRMEN1KMT2ACHRNB2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272500-B1 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSITUTED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2005-05-04 EP claimed
US-6437106-B1 ALKYLATION WITH ALKENYL CARBONATE OR CARBAMATE IN PRESENCE OF PALLADIUM CATALYST AND PHOSPHINE; CYCLIZATION ABBOTT LABORATORIES 2002-08-20 US claimed
US-11081729-B2 Non-aqueous electrolyte solution additive, and non-aqueous electrolyte solution for lithium secondary battery and lithium secondary battery which include the same LG CHEM, LTD. 2021-08-03 US disclosed
US-20200044287-A1 Non-aqueous Electrolyte Solution Additive, and Non-aqueous Electrolyte Solution for Lithium Secondary Battery and Lithium Secondary Battery which Include the Same LG CHEM, LTD. (KR) 2020-02-06 US disclosed
US-9657030-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-05-23 US disclosed
US-9657030-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-05-23 US disclosed
US-9657030-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-05-23 US disclosed
US-9624232-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-04-18 US disclosed
US-9624232-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-04-18 US disclosed
US-9624232-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-04-18 US disclosed
US-9593124-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-03-14 US disclosed
EP-1345954-A2 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2003-09-24 EP disclosed
EP-1272500-A2 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSITUTED ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2003-01-08 EP disclosed
US-6455680-B1 PROTECTING A KETONE OF A KETONE-CONTAINING ERYTHROMYCIN DERIVATIVE AS AN ARYL THIOIMINE (AR-S-N=) BY REACTING THE KETONE WITH A HYDROXYLAMINE TO FORM AN OXIME, AND THEN REACTING WITH A TRIALKYL PHOSPHINE AND AN ARYL DISULFIDE ABBOTT LABORATORIES 2002-09-24 US disclosed
US-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives ABBVIE INC. 2002-08-22 US disclosed
US-6437106-B1 ALKYLATION WITH ALKENYL CARBONATE OR CARBAMATE IN PRESENCE OF PALLADIUM CATALYST AND PHOSPHINE; CYCLIZATION ABBOTT LABORATORIES 2002-08-20 US disclosed
WO-2002050093-A2 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 2002-06-27 WO disclosed
WO-2000078773-A2 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSTITUTED ERYTHROMYCIN DERIV ATIVES ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed
EP-0196454-B1 PROCESS FOR REMOVING AN AMINO PROTECTING GROUP NIPPON ZEON CO., LTD. (JP) 1990-06-06 EP disclosed
EP-0196454-A1 Process for removing an amino protecting group NIPPON ZEON CO., LTD. (JP) 1986-10-08 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 (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-20200044287-A1 Non-aqueous Electrolyte Solution Additive, and Non-aqueous Electrolyte Solution for Lithium Secondary Battery and Lithium Secondary Battery which Include the Same LAGE3, KCNN2, CACNA1F TDP1 2650/4885TSHR 3307/4885CYP3A4 3334/4885
US-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives CYP2C9, CYP2B6, POR TDP1 1843/4885TSHR 106/4885CYP3A4 19/4885
US-11081729-B2 Non-aqueous electrolyte solution additive, and non-aqueous electrolyte solution for lithium secondary battery and lithium secondary battery which include the same LAGE3, KCNN2, CACNA1F TDP1 2650/4885TSHR 3307/4885CYP3A4 3334/4885

“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.