SCHEMBL13052071

SCHEMBL13052071

CC(=O)C(C)(C)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
HSD11B2 P80365 1/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP2B6 P20813 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 2/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL22045060 0.97 HSD11B1 (0.34) HSD11B1HSD11B2ALDH1A1CYP2B6SIGMAR1
SCHEMBL8827280 0.79 ALDH1A1 (0.45) HSD11B1HSD11B2ALDH1A1CYP2B6SIGMAR1
SCHEMBL20440205 0.78 CA2 (0.36) SIGMAR1HPGD
SCHEMBL3635465 0.77 L3MBTL1 (0.37) HSD11B1HSD11B2ALDH1A1CYP2B6SIGMAR1
Acetic Acid SCHEMBL7359984 0.77 ALDH1A1 (0.39) HSD11B1HSD11B2ALDH1A1CYP2B6SMN1; SMN2
SCHEMBL12758500 0.77 GAA (0.35) HSD11B1HSD11B2ALDH1A1CYP2B6SIGMAR1
SCHEMBL23717930 0.77 SIGMAR1 (0.45) SIGMAR1MEN1KMT2A
SCHEMBL3661207 0.76 ALDH1A1 (0.42) HSD11B1HSD11B2ALDH1A1CYP2B6SIGMAR1
SCHEMBL22045061 0.75 CA2 (0.38) HSD11B1ALDH1A1SIGMAR1KMT2AHPGD
Hydrochloric Acid SCHEMBL9698155 0.75 L3MBTL1 (0.35) HSD11B1HSD11B2ALDH1A1CYP2B6SIGMAR1

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-20180029970-A1 ACRYLIC ADHESIVE COMPOSITION FROM PROTECTED PHOTOCROSSLINKING AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2018-02-01 US disclosed
US-7838110-B2 Aziridine-functional photoactive crosslinking compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-11-23 US disclosed
US-20100137469-A1 AZIRIDINE-FUNCTIONAL PHOTOACTIVE CROSSLINKING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2010-06-03 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 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-20180029970-A1 ACRYLIC ADHESIVE COMPOSITION FROM PROTECTED PHOTOCROSSLINKING AGENTS DCLRE1A, RAD51, COL2A1 HSD11B1 4834/4885HSD11B2 4780/4885ALDH1A1 316/4885
US-20100137469-A1 AZIRIDINE-FUNCTIONAL PHOTOACTIVE CROSSLINKING COMPOUNDS PTMA, PAM, AAAS HSD11B1 3277/4885HSD11B2 3008/4885ALDH1A1 300/4885

“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.