SCHEMBL12190040

SCHEMBL12190040

CC(C)(C1CCC(OCC2CC2)CC1)C1CCC(OCC2CO2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 4/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12957809 0.95 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL17083647 0.95 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL26498502 0.95 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL50372 0.95 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL19051889 0.92 TSHR (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL8758845 0.92 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL16977288 0.90 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL22540509 0.90 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL15683202 0.90 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL28630227 0.90 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TP53

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-20170096577-A1 PRIMER-LESS COATED SUBSTRATES PRC-DESOTO INTERNATIONAL, INC. 2017-04-06 US disclosed
US-8030401-B1 Photoinitiated cationic epoxy compositions HENKEL CORPORATION (US) 2011-10-04 US disclosed
US-7714037-B1 Photoinitiated cationic epoxy compositions and articles exhibiting low color HENKEL CORPORATION (US) 2010-05-11 US disclosed
US-20100035003-A1 COMPOSITIONS POLYMERIZABLE/CROSSLINKABLE BY CATIONIC/RADICAL IRRADIATION PERSTORP FRANCE (FR) 2010-02-11 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-20100035003-A1 COMPOSITIONS POLYMERIZABLE/CROSSLINKABLE BY CATIONIC/RADICAL IRRADIATION XRCC6, XRCC5, ERCC1 ALDH1A1 2810/4885TSHR 4474/4885MAPK1 3646/4885

“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.