SCHEMBL20553012

SCHEMBL20553012

CC(C)NC(Oc1ccc(OCCn2nccn2)cc1)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PDGFRB P09619 2/20 0.35
▸ PSMB1 P20618 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ TBXAS1 P24557 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL20553062 0.87 PTGS1 (0.31) MAPT
SCHEMBL21775532 0.81 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL20553239 0.77 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL6222183 0.77 CARM1 (0.38) ALDH1A1CYP19A1KDM4E
SCHEMBL9621528 0.77 CYP1A2 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL11052326 0.76 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL10785450 0.74 PTGS1 (0.60) MAPTCYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL10788323 0.73 MAPT (0.60) MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL9661057 0.71 ADRB1 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL10785386 0.71 ESR1 (0.47) LTA4HALDH1A1MAPTSMN1; SMN2CYP1A2

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
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 — — EP 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
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 — — 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 (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 LTA4H 502/4885ALDH1A1 235/4885MAPT 3386/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A LTA4H 629/4885ALDH1A1 501/4885MAPT 3208/4885

“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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