SCHEMBL9946119

SCHEMBL9946119

Cc1ccc(C2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CPB1 P15086 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL17863581 0.90 MAPK1 (0.37) MEN1KMT2ASMN1; SMN2MAPK1RAB9A
SCHEMBL488467 0.79 ESR2 (0.42) ACHEMEN1KMT2AALDH1A1LMNA
SCHEMBL9946121 0.78 MEN1 (0.46) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL9946146 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9946120 0.76 HTR2A (0.37) TDP1ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL16581925 0.76 CA1 (0.46) ACHETDP1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL38657738 0.74 MAPK1 (0.30) MAPK1
SCHEMBL9946122 0.74 KMT2A (0.44) ACHECACNA1BAPBA1MEN1KMT2A
SCHEMBL29926357 0.74 ACHE (0.47) ACHETDP1CACNA1BAPBA1MEN1
SCHEMBL17821223 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ACHE 3196/4885TDP1 3577/4885CACNA1B 2515/4885

“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.