SCHEMBL9080606

SCHEMBL9080606

CC(C)(C)N(C(CC(=O)O)C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
PGD P52209 1/20 0.32
FOLH1 Q04609 2/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
GABRR1 P24046 2/20 0.30
LMNA P02545 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
SCHEMBL2205265 1.00 TDP1 (0.39) TDP1SMN1; SMN2MAPTSLC22A6PGD
Hydrochloric Acid SCHEMBL918666 0.98 TDP1 (0.37) TDP1SMN1; SMN2MAPTSLC22A6PGD
Hydrochloric Acid SCHEMBL19384699 0.98 TDP1 (0.37) TDP1SMN1; SMN2MAPTSLC22A6PGD
Hydrochloric Acid SCHEMBL27802580 0.98 TDP1 (0.37) TDP1SMN1; SMN2MAPTSLC22A6PGD
SCHEMBL30734437 0.80 TDP1 (0.37) TDP1SMN1; SMN2MAPTSLC22A6PGD
SCHEMBL9189097 0.79 TET2 (0.45)
SCHEMBL5571470 0.78 CYP1A2 (0.45) FOLH1
SCHEMBL5571472 0.78 CYP1A2 (0.45) FOLH1
SCHEMBL9219251 0.78 CYP1A2 (0.45) FOLH1
Hydrochloric Acid SCHEMBL3471976 0.77 CYP1A2 (0.43) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797900-B1 COMPLEX-FORMING COMPOUNDS STRATOXER S KFT (HU) 2016-09-28 EP disclosed
US-9243031-B2 Complex-forming compounds STRATOXER(S) KFT. (HU) 2016-01-26 US disclosed
US-20140342997-A1 COMPLEX-FORMING COMPOUNDS STRATOXER(S) KFT. (HU) 2014-11-20 US disclosed
EP-2797900-A1 COMPLEX-FORMING COMPOUNDS Stratoxer(S) Kft. (HU) 2014-11-05 EP disclosed
WO-2013098572-A1 COMPLEX-FORMING COMPOUNDS STRATOXER(S) KFT. (HU) 2013-07-04 WO disclosed
US-5506255-A ORGANIC PIGMENTS, FLUORESCENT DYES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-04-09 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-20140342997-A1 COMPLEX-FORMING COMPOUNDS F2, CYP2F1, CYP4F2 TDP1 4384/4885SMN1; SMN2 3136/4885MAPT 1691/4885

“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.