SCHEMBL1479773

SCHEMBL1479773

CC(C)c1cc(C(C)C)cc([P](=O)c2cc(C(C)C)cc(C(C)C)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.37
FABP4 P15090 2/20 0.37
FABP5 Q01469 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HDAC4 P56524 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
TYR P14679 2/20 0.31
RNASEH1 O60930 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MDM4 O15151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 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
SCHEMBL2153431 0.77 HDAC4 (0.48) HDAC4HDAC8TYRRNASEH1KDM4E
SCHEMBL338867 0.76 GABRA1 (0.46) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL19998404 0.76 GABRA1 (0.34) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL2153485 0.74 TYR (0.46) TYRRNASEH1KDM4EALDH1A1MAPT
SCHEMBL23202734 0.73 GABRA1 (0.43) FABP3FABP4FABP5GABRA1GABRB2
Calcium SCHEMBL29750665 0.73 GABRA1 (0.43) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL3234036 0.73 GABRA1 (0.43) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL29415630 0.73 GABRA1 (0.43) FABP3FABP4FABP5GABRA1GABRB2
Hydrochloric Acid SCHEMBL5790729 0.73 GABRA1 (0.43) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL23202783 0.73 GABRA1 (0.43) FABP3FABP4FABP5GABRA1GABRB2

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-20110077418-A1 PROCESS FOR THE HYDROGENATION OF IMINES CHEMINOVA A/S (DK) 2011-03-31 US disclosed
WO-2010094164-A1 PROCESS FOR THE HYDROGENATION OF IMINES CHEMINOVA A/S (DK) 2010-08-26 WO 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-20110077418-A1 PROCESS FOR THE HYDROGENATION OF IMINES INTS9, INTS6, INF2 FABP3 4689/4885FABP4 4440/4885FABP5 3192/4885

“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.