SCHEMBL21775567

SCHEMBL21775567

Cc1cccc(OC(C(C)O)N2C(C)(C)CCC2(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ACHE P22303 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL21775598 0.84 LMNA (0.41) LMNAKMT2AMEN1ACHEADRB2
SCHEMBL20553615 0.77 SLC6A2 (0.49) LMNAKMT2AMEN1ACHEADRB2
SCHEMBL21775516 0.76 SLC6A2 (0.51) LMNAKMT2AMEN1ACHEADRB2
SCHEMBL16371037 0.74 KMT2A (0.51) LMNAKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL31514931 0.72 LMNA (0.52) LMNAKMT2AMEN1ACHEADRB2
SCHEMBL2557633 0.72 LMNA (0.52) LMNAKMT2AMEN1ACHEADRB2
SCHEMBL516563 0.71 LMNA (0.55) LMNAKMT2AMEN1ACHEADRB2
SCHEMBL16978755 0.71 LMNA (0.55) LMNAKMT2AMEN1ACHEADRB2
SCHEMBL30333407 0.71 LMNA (0.55) LMNAKMT2AMEN1ACHEADRB2
SCHEMBL8719548 0.69 LMNA (0.52) LMNAKMT2AMEN1ACHEADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 LMNA 1421/4885KMT2A 1669/4885MEN1 3248/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A LMNA 2085/4885KMT2A 572/4885MEN1 3011/4885

“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.