SCHEMBL11513409

SCHEMBL11513409

Cc1cccc(OC(NC(C)C)C(C)O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
ACHE P22303 1/20 0.43
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.39
ADRB3 P13945 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL21775503 0.84 MTNR1B (0.49) ALDH1A1
SCHEMBL10345923 0.81 LMNA (0.41) ADRB2ADRB1LMNATP53KMT2A
SCHEMBL21775493 0.80 KMT2A (0.41) ADRB2ADRB1LMNAACHEKMT2A
SCHEMBL2557633 0.78 LMNA (0.52) ADRB2ADRB1SMN1; SMN2LMNAACHE
SCHEMBL31514931 0.78 LMNA (0.52) ADRB2ADRB1SMN1; SMN2LMNAACHE
SCHEMBL20552868 0.77 PPARG (0.43) ADRB2ADRB1SMN1; SMN2LMNAKMT2A
SCHEMBL30333407 0.77 LMNA (0.55) ADRB2ADRB1SMN1; SMN2LMNAACHE
SCHEMBL16978755 0.77 LMNA (0.55) ADRB2ADRB1SMN1; SMN2LMNAACHE
SCHEMBL516563 0.77 LMNA (0.55) ADRB2ADRB1SMN1; SMN2LMNAACHE
SCHEMBL8719548 0.74 LMNA (0.52) ADRB2ADRB1SMN1; SMN2LMNAACHE

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 7 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
US-4161530-A CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE CIBA-GEIGY CORPORATION (US) 1979-07-17 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 (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 ADRB2 61/4885ADRB1 129/4885SMN1; SMN2 955/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A ADRB2 89/4885ADRB1 208/4885SMN1; SMN2 676/4885

“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.