SCHEMBL3327682

SCHEMBL3327682

CC(C)NC(C)C.CCCC[Mg+2]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.31
EPHX1 P07099 1/20 0.30
THRB P10828 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
Hexane SCHEMBL9763562 0.82 TDP1 (0.57) TDP1MEN1FAAHMAPK1KMT2A
Hexane SCHEMBL9763768 0.79 TDP1 (0.53) TDP1MEN1FAAHMAPK1KMT2A
Heptane SCHEMBL17938082 0.79 TSHR (0.53) TDP1MEN1FAAHMAPK1KMT2A
Heptane SCHEMBL29087108 0.77 TSHR (0.50) TDP1MEN1FAAHMAPK1KMT2A
Heptane SCHEMBL2515743 0.77 TSHR (0.50) TDP1MEN1FAAHMAPK1KMT2A
SCHEMBL449933 0.72 TSHR (0.55) TDP1MEN1FAAHMAPK1KMT2A
Butylamine SCHEMBL2810676 0.72 DNM1 (0.48) TDP1MEN1KMT2ATSHROPRM1
SCHEMBL1317865 0.72 TDP1 (0.44) TDP1MEN1FAAHMAPK1KMT2A
SCHEMBL9316767 0.72 TDP1 (0.44) TDP1MEN1FAAHMAPK1KMT2A
Isobutanol SCHEMBL1992818 0.72 TSHR (0.50) TDP1MEN1MAPK1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304531-B2 Process for the preparation of an (RP)-8-substituted cAMPS SOLVELL AS (NO) 2012-11-06 US disclosed
US-20100137237-A1 PROCESS FOR THE PREPARATION OF AN (RP)-8-SUBSTITUTED CAMPS LAURAS AS (NO) 2010-06-03 US disclosed
EP-2081947-A2 PROCESS FOR THE PREPARATION OF AN (RP)-8-SUBSTITUTED CAMPS Lauras AS (NO) 2009-07-29 EP disclosed
WO-2008032103-A2 PROCESS FOR THE PREPARATION OF AN (RP)-8-SUBSTITUTED CAMPS LAURAS AS (NO) 2008-03-20 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-20100137237-A1 PROCESS FOR THE PREPARATION OF AN (RP)-8-SUBSTITUTED CAMPS AMPD3, ATIC, PDE8A TDP1 1481/4885MEN1 2237/4885FAAH 3076/4885

“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.