SCHEMBL11052326

SCHEMBL11052326

CSCCOc1ccc(OC(NC(C)C)C(C)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33

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
SCHEMBL6222183 0.81 CARM1 (0.38) ALDH1A1KDM4E
SCHEMBL9621528 0.81 CYP1A2 (0.42) ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL20553417 0.81 MTNR1A (0.35) —
SCHEMBL20553012 0.76 LTA4H (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL9661057 0.75 ADRB1 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL21775493 0.75 KMT2A (0.41) ALDH1A1LMNAMAPTHPGD
SCHEMBL11130584 0.74 LMNA (0.52) LMNASMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL2585659 0.74 PPARG (0.39) ALDH1A1KDM4ELMNAGAANPC1
SCHEMBL21775617 0.74 ADRB1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL11517588 0.73 LMNA (0.56) LMNAMAPTPTGS1SLC6A2

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
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 — — CN disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 — — US disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 — — US disclosed
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 — — CN disclosed
EP-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 — — EP disclosed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 — — 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 (2 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 ALDH1A1 235/4885KDM4E 3464/4885LMNA 1421/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A ALDH1A1 501/4885KDM4E 2088/4885LMNA 2085/4885

“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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