SCHEMBL17721288

SCHEMBL17721288

Cc1nnc(-c2ccc(OCCOCCC(=O)O)cc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ RARB P10826 5/20 0.49
▸ MMP2 P08253 1/20 0.46
▸ PLA2G4B P0C869 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ RARA P10276 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL25427287 1.00 L3MBTL1 (0.51) L3MBTL1RARBMMP2PLA2G4BKDM4E
SCHEMBL25623345 1.00 L3MBTL1 (0.51) L3MBTL1RARBMMP2PLA2G4BKDM4E
SCHEMBL25623340 1.00 L3MBTL1 (0.51) L3MBTL1RARBMMP2PLA2G4BKDM4E
SCHEMBL22895274 0.92 RARB (0.53) L3MBTL1RARBPLA2G4BKDM4EALDH1A1
SCHEMBL25897953 0.88 RARB (0.45) L3MBTL1RARBKDM4EALDH1A1SMN1; SMN2
SCHEMBL25898026 0.88 RARB (0.45) L3MBTL1RARBKDM4EALDH1A1SMN1; SMN2
SCHEMBL25894407 0.82 RARB (0.45) L3MBTL1RARBKDM4EALDH1A1SMN1; SMN2
SCHEMBL21125363 0.81 L3MBTL1 (0.46) L3MBTL1RARBKDM4EALDH1A1SMN1; SMN2
SCHEMBL25493962 0.81 L3MBTL1 (0.46) L3MBTL1RARBKDM4EALDH1A1SMN1; SMN2
SCHEMBL25890923 0.81 RARB (0.39) L3MBTL1RARBMMP2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023012437-A1 ANTIBODY-DRUG CONJUGATES MC SAF (FR) 2023-02-09 — — WO disclosed
US-10953098-B2 Chemical structures for localized delivery of therapeutic agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-23 — — US disclosed
US-20190111140-A1 CHEMICAL STRUCTURES FOR LOCALIZED DELIVERY OF THERAPEUTIC AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-18 — — US disclosed
US-20160120987-A1 CHEMICAL STRUCTURES FOR LOCALIZED DELIVERY OF THERAPEUTIC AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-05-05 — — 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 (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-20190111140-A1 CHEMICAL STRUCTURES FOR LOCALIZED DELIVERY OF THERAPEUTIC AGENTS FABP1, EPCAM, CD44 L3MBTL1 986/4885RARB 966/4885MMP2 659/4885
US-10953098-B2 Chemical structures for localized delivery of therapeutic agents FABP1, EPCAM, CD44 L3MBTL1 986/4885RARB 966/4885MMP2 659/4885
US-20160120987-A1 CHEMICAL STRUCTURES FOR LOCALIZED DELIVERY OF THERAPEUTIC AGENTS FABP1, EPCAM, CD44 L3MBTL1 986/4885RARB 966/4885MMP2 659/4885

“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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