SCHEMBL1132289

SCHEMBL1132289

CCCCCC(N)C(O)CO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.67
SPHK1 Q9NYA1 4/20 0.67
LMNA P02545 4/20 0.67
MAPT P10636 4/20 0.67
GMNN O75496 3/20 0.67
POLB P06746 3/20 0.67
BLM P54132 3/20 0.67
CETP P11597 3/20 0.67
UBE2N P61088 3/20 0.67
TP53 P04637 3/20 0.67
THPO P40225 2/20 0.67
CYP1A2 P05177 2/20 0.67
MTOR P42345 1/20 0.67
KDM4E B2RXH2 1/20 0.67
CYP3A4 P08684 1/20 0.67
HTT P42858 1/20 0.67
NOS2 P35228 2/20 0.56
OPRM1 P35372 1/20 0.46
CSNK1E P49674 1/20 0.43
MEN1 O00255 3/20 0.43

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
SCHEMBL27938464 0.98 CYP2D6 (0.70) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL360356 0.98 CYP2D6 (0.70) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL8455217 0.98 CYP2D6 (0.70) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL28584076 0.98 CYP2D6 (0.70) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL1131956 0.98 CYP2D6 (0.70) CYP2D6SPHK1LMNAMAPTGMNN
Hydrochloric Acid SCHEMBL9575893 0.96 CYP2D6 (0.68) CYP2D6SPHK1LMNAMAPTGMNN
Ammonia Solution, Strong SCHEMBL28467048 0.96 CYP2D6 (0.68) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL2783813 0.86 CYP2D6 (0.72) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL16859681 0.84 CYP2D6 (0.76) CYP2D6SPHK1LMNAMAPTGMNN
SCHEMBL6118653 0.84 CYP2D6 (0.76) CYP2D6SPHK1LMNAMAPTGMNN

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
EP-1812381-B1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KK (JP) 2011-02-16 EP disclosed
US-7579066-B2 Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use SHOWA DENKO K.K. (JP) 2009-08-25 US disclosed
US-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use RESONAC CORPORATION (JP) 2008-06-05 US disclosed
US-4245110-A Polyalkylene oxide-containing urethane polyols with sulphonic acid groups BAYER AKTIENGESELLSCHAFT (DE) 1981-01-13 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-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use ACAD9, ELOVL6, ELOVL5 CYP2D6 528/4885SPHK1 4404/4885LMNA 2468/4885

“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.