SCHEMBL29949152

SCHEMBL29949152

CC1=[N+](CCO)c2ccc(S(=O)(=O)[O-])cc2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL31681271 0.86 LMNA (0.43) LMNATDP1MEN1MAPTTHRB
SCHEMBL7750100 0.85 LMNA (0.47) LMNATDP1MEN1MAPTTHRB
SCHEMBL135011 0.84 LMNA (0.41) LMNATDP1MEN1MAPTTHRB
SCHEMBL41357 0.84 LMNA (0.63) LMNATDP1MEN1MAPTTHRB
SCHEMBL22027491 0.84 LMNA (0.43) LMNATDP1MEN1MAPTTHRB
SCHEMBL4725918 0.84 LMNA (0.43) LMNATDP1MEN1MAPTTHRB
SCHEMBL559842 0.83 LMNA (0.40) LMNATDP1MEN1MAPTTHRB
Potassium SCHEMBL30593807 0.83 LMNA (0.42) LMNATDP1MEN1MAPTTHRB
SCHEMBL634270 0.83 MAPT (0.42) LMNATDP1MEN1MAPTTHRB
Bromide SCHEMBL4727423 0.83 LMNA (0.42) LMNATDP1MEN1MAPTTHRB

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-12466836-B2 Spiropyran hydrogels and light-driven expansion thereof NORTHWESTERN UNIVERSITY (US) 2025-11-11 US disclosed
US-20220298169-A1 SPIROPYRAN HYDROGELS AND LIGHT-DRIVEN EXPANSION THEREOF UNITED STATES DEPARTMENT OF ENERGY 2022-09-22 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-12466836-B2 Spiropyran hydrogels and light-driven expansion thereof CRY1, PASK, VCL LMNA 2052/4885TDP1 3506/4885MEN1 3960/4885
US-20220298169-A1 SPIROPYRAN HYDROGELS AND LIGHT-DRIVEN EXPANSION THEREOF CRY1, PASK, VCL LMNA 2052/4885TDP1 3506/4885MEN1 3960/4885

“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.