SCHEMBL2120865

SCHEMBL2120865

[CH2]c1ccccc1OC(C)OCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL23906795 0.86 LMNA (0.48) LMNAL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL2723768 0.86 CYP1A2 (0.33) ALDH1A1
SCHEMBL8340540 0.81 LMNA (0.40) LMNAL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL8333875 0.81 MAPT (0.40) L3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL2122337 0.80 CA1 (0.39) LMNAL3MBTL1ALDH1A1KMT2AADRA2A
SCHEMBL27701197 0.79 CA1 (0.50) LMNAL3MBTL1ALDH1A1KMT2AADRA2A
SCHEMBL8218163 0.79 ADRA2A (0.48) LMNAL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL13086759 0.79 CYP1A2 (0.41) LMNAL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL1395548 0.79 LMNA (0.37) LMNAL3MBTL1ALDH1A1KMT2AADRA2A
SCHEMBL20314717 0.78 NISCH (0.42) LMNAL3MBTL1ALDH1A1KMT2AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885548-A Multiply substituted DTPA derivatives and their metal complexes, and their metal complexes, pharmaceutical agents that contain these complexes, their use in diagnosis and therapy, as well as process for the production of pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-23 US claimed
US-5746995-A DTPA derivatives substituted in a novel way, their metal complexes, and their use in diagnosis and therapy SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-05 US claimed
US-8802895-B2 Amide derivatives of benzene-sulfonanilide, pharmaceutical composition thereof and method for cancer treatment using the same CLEVELAND STATE UNIVERSITY (US) 2014-08-12 US disclosed
EP-2629767-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME Cleveland State University (US) 2013-08-28 EP disclosed
WO-2012054417-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY (US) 2012-04-26 WO disclosed
US-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY 2012-04-19 US disclosed
US-5885548-A Multiply substituted DTPA derivatives and their metal complexes, and their metal complexes, pharmaceutical agents that contain these complexes, their use in diagnosis and therapy, as well as process for the production of pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
US-5746995-A DTPA derivatives substituted in a novel way, their metal complexes, and their use in diagnosis and therapy SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-05 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 (1 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-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME RB1, BCR, NRAS LMNA 3277/4885L3MBTL1 4765/4885ALDH1A1 639/4885

“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.