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SCHEMBL12387752

SCHEMBL12387752

CC(C)OCC(=O)NCCN(CCNC(=O)COC(C)C)CCN(CCNC(=O)COC(C)C)CCNC(=O)COC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ LGALS1 P09382 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ DNM1 Q05193 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL17972720 0.85 LGALS1 (0.40) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL9911436 0.85 LGALS1 (0.47) CYP1A2CYP2D6ALDH1A1LMNALGALS1
SCHEMBL19057369 0.84 LMNA (0.36) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL20953682 0.84 CYP1A2 (0.34) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL25089951 0.80 SIGMAR1 (0.37) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL12433197 0.79 CYP1A2 (0.47) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL18104670 0.79 BCHE (0.44) CYP2D6ALDH1A1LMNAKMT2AFAAH
SCHEMBL9911437 0.79 RAB9A (0.50) CYP2D6CYP3A4ALDH1A1LMNAKMT2A
SCHEMBL25063765 0.79 EPHX2 (0.45) CYP3A4ALDH1A1LMNAKMT2ARAB9A
SCHEMBL24941942 0.78 LGALS1 (0.36) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA

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-11691997-B2 Macrocycles LUMIPHORE, INC. (US) 2023-07-04 — — US disclosed
US-20170183365-A1 MACROCYCLES LUMIPHORE, INC. 2017-06-29 — — US disclosed
US-9439984-B2 Macrocycles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-13 — — US disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 — — US disclosed
US-20150157746-A1 MACROCYCLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-11 — — US disclosed
US-20110189088-A1 RADIOPHARMACEUTICAL COMPLEXES LUMIPHORE, INC. (US) 2011-08-04 — — 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-20110189088-A1 RADIOPHARMACEUTICAL COMPLEXES SLC39A3, SLC30A5, SLC40A1 CYP1A2 4428/4885CYP2D6 3420/4885CYP3A4 4360/4885
US-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 CYP1A2 1433/4885CYP2D6 396/4885CYP3A4 857/4885
US-11691997-B2 Macrocycles HCCS, ABCB7, AURKAIP1 CYP1A2 1320/4885CYP2D6 658/4885CYP3A4 758/4885
US-20170183365-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 CYP1A2 1320/4885CYP2D6 658/4885CYP3A4 758/4885
US-20150157746-A1 MACROCYCLES SLC39A14, SLC39A3, SLC40A1 CYP1A2 3416/4885CYP2D6 2777/4885CYP3A4 2906/4885

“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.