SCHEMBL21160461

SCHEMBL21160461

CC1=CC(C)(C)N(CCO)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 10/20 0.51
NPSR1 Q6W5P4 6/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.47
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL7879104 0.90 LMNA (0.54) LMNAALDH1A1NPSR1TSHRUSP2
SCHEMBL21037001 0.83 LMNA (0.42) LMNAALDH1A1NPSR1TSHRUSP2
SCHEMBL9166728 0.81 LMNA (0.53) LMNAALDH1A1NPSR1TSHRUSP2
SCHEMBL29638140 0.81 LMNA (0.53) LMNAALDH1A1NPSR1TSHRUSP2
SCHEMBL9073589 0.81 NPSR1 (0.47) LMNAALDH1A1NPSR1TSHRUSP2
SCHEMBL7133642 0.80 LMNA (0.46) LMNAALDH1A1NPSR1TSHRUSP2
SCHEMBL7793706 0.77 ALDH1A1 (0.47) LMNAALDH1A1NPSR1TSHRMAPK1
SCHEMBL21037002 0.76 MEN1 (0.37) LMNAALDH1A1NPSR1TSHRKMT2A
SCHEMBL2393621 0.75 LMNA (0.57) LMNAALDH1A1NPSR1TSHRUSP2
SCHEMBL13925442 0.74 ALDH1A1 (0.48) LMNAALDH1A1NPSR1TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF LMNA 257/4885ALDH1A1 3152/4885NPSR1 3358/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF LMNA 257/4885ALDH1A1 3152/4885NPSR1 3358/4885

“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.