SCHEMBL17885891

SCHEMBL17885891

COC(=O)CCCCNC(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.52
▸ EPHX2 P34913 6/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ RECQL P46063 1/20 0.42
▸ ALDH1A2 O94788 1/20 0.41
▸ ALDH2 P05091 1/20 0.41
▸ ALDH1A3 P47895 1/20 0.41

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
SCHEMBL14521457 0.94 TSHR (0.54) TSHREPHX2LMNACYP2D6CYP2C9
SCHEMBL12017878 0.86 TSHR (0.50) TSHREPHX2LMNACYP2D6CYP2C9
SCHEMBL10422914 0.84 EPHX2 (0.48) TSHREPHX2LMNAALDH1A1ALDH1A2
SCHEMBL18768870 0.84 TSHR (0.52) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL10520237 0.84 EPHX2 (0.48) TSHREPHX2LMNAALDH1A1ALDH1A2
SCHEMBL861034 0.83 KMT2A (0.57) TSHRCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL23839910 0.81 ALDH1A1 (0.58) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL17777241 0.81 ALDH1A1 (0.58) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL23188735 0.81 ALDH1A1 (0.58) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL9830431 0.80 ADRA1A (0.59) TSHREPHX2LMNACYP2D6CYP2C9

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-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 — — US disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 — — US disclosed
US-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 — — US disclosed
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof LUMIPHORE, INC. (US) 2019-03-26 — — US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 — — US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 — — US disclosed
WO-2016106241-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2016-06-30 — — WO 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 (6 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM TSHR 804/4885EPHX2 3366/4885LMNA 1626/4885
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 TSHR 477/4885EPHX2 4151/4885LMNA 3330/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM TSHR 804/4885EPHX2 3366/4885LMNA 1626/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 TSHR 477/4885EPHX2 4151/4885LMNA 3330/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 TSHR 477/4885EPHX2 4151/4885LMNA 3330/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 TSHR 477/4885EPHX2 4151/4885LMNA 3330/4885

“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.

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