SCHEMBL14917397

SCHEMBL14917397

C=C(C)C(N)=O.O=C(O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD11B1 P28845 2/20 0.37
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.36

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
Methacrylic Acid SCHEMBL11899769 0.88 ALDH1A1 (0.44) ALDH1A1HTTHSD11B1EPHX1GLA
Acetamide SCHEMBL28922396 0.88 ALDH1A1 (0.46) ALDH1A1CRHBPHTTCRHR2MCOLN3
Acetic Acid SCHEMBL2777409 0.83 ALDH1A1 (0.49) ALDH1A1HTTTHRBCYP2C9HSD11B1
Methacrylic Acid SCHEMBL27793839 0.81 ALDH1A1 (0.43) ALDH1A1HTTHSD11B1GLAL3MBTL1
SCHEMBL19557168 0.81 HSD11B1 (0.48) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL12714 0.81 HSD11B1 (0.48) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL19557166 0.81 HSD11B1 (0.48) ALDH1A1CRHBPHTTCRHR2MCOLN3
Amantadine SCHEMBL27623922 0.80 GRIN2D (0.54) TDP1ALDH1A1CRHBPHTTCRHR2
SCHEMBL6273763 0.79 ALDH1A1 (0.46) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL4389277 0.79 HSD11B1 (0.46) ALDH1A1CRHBPHTTCRHR2MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133102-B2 Resist composition, method of forming resist pattern and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2015-09-15 US disclosed
US-20140221673-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2014-08-07 US disclosed
US-20130115554-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2013-05-09 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 (2 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-20130115554-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN AND POLYMERIC COMPOUND C1R, SLC11A2, C9 TDP1 3793/4885ALDH1A1 1040/4885CRHBP 2676/4885
US-20140221673-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN AND POLYMERIC COMPOUND C1R, SLC11A2, C9 TDP1 3793/4885ALDH1A1 1040/4885CRHBP 2676/4885

“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.