SCHEMBL19934178

SCHEMBL19934178

CC(C)c1cc2c(cc1C(C)C)OCCOCCOCCOCCOCCO2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL12424584 0.93 PTGS1 (0.41) MAPTLMNAHTTBLMKDM4E
SCHEMBL18680385 0.80 ALDH1A1 (0.38) MAPTKDM4EGAAKMT2APTGS1
SCHEMBL13341067 0.78 ALDH1A1 (0.45) MAPTLMNASMN1; SMN2KDM4EKMT2A
SCHEMBL15979635 0.78 HSP90AA1 (0.50) LMNAPTGS1PTGS2HSP90AA1
SCHEMBL12210461 0.78 TAAR1 (0.42) MAPTGAA
SCHEMBL15982613 0.77 LMNA (0.60) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL15982628 0.77 LMNA (0.60) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL15982312 0.77 LMNA (0.60) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL15982277 0.75 PTGS1 (0.57) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL22433006 0.75 HSD17B10 (0.41) MAPTLMNASMN1; SMN2KDM4EGAA

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 6 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-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 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-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 US disclosed
WO-2018045385-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2018-03-08 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 (4 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-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 MAPT 2173/4885LMNA 3330/4885HTT 2150/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 MAPT 2173/4885LMNA 3330/4885HTT 2150/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 MAPT 2173/4885LMNA 3330/4885HTT 2150/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 MAPT 2173/4885LMNA 3330/4885HTT 2150/4885

“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.