SCHEMBL2148374

SCHEMBL2148374

CCCC1CCC(C2CCC(CC(=O)O)(CC(=O)O)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
TLR4 O00206 2/20 0.39
MAPT P10636 2/20 0.36
CYP2C9 P11712 1/20 0.35
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL14138017 0.83 TLR4 (0.39) TLR4MAPTCYP2C9ALDH1A1LMNA
SCHEMBL6380895 0.80 ALDH1A1 (0.53) CYP1A2MAPTCYP2C9ALDH1A1LMNA
SCHEMBL13593723 0.79 MAPT (0.47) CYP1A2TLR4MAPTALDH1A1LMNA
SCHEMBL8052103 0.78 FFAR3 (0.43) TLR4MAPTCYP2C9HSD11B1ALDH1A1
SCHEMBL6523852 0.77 MAPT (0.47) TLR4MAPTCYP2C9ALDH1A1LMNA
SCHEMBL9442491 0.77 TLR4 (0.43) TLR4MAPTCYP2C9HSD11B1ALDH1A1
SCHEMBL9442484 0.77 TLR4 (0.43) TLR4MAPTCYP2C9HSD11B1ALDH1A1
SCHEMBL8729065 0.77 TLR4 (0.43) TLR4MAPTCYP2C9HSD11B1ALDH1A1
SCHEMBL6523850 0.77 MAPT (0.47) TLR4MAPTCYP2C9ALDH1A1LMNA
SCHEMBL6523843 0.77 MAPT (0.47) TLR4MAPTCYP2C9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255223-B2 Polymerizable compounds and liquid crystal media MERCK PATENT GMBH (DE) 2016-02-09 US disclosed
US-9255223-B2 Polymerizable compounds and liquid crystal media MERCK PATENT GMBH (DE) 2016-02-09 US disclosed
US-20120298916-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-29 US disclosed
US-20120298916-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-29 US disclosed
US-20120298916-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-29 US disclosed
WO-2011088882-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2011-07-28 WO disclosed
WO-2011088882-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2011-07-28 WO 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-20120298916-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA RCC1, CCNB2, CCNB1 CYP1A2 1390/4885TLR4 4114/4885MAPT 101/4885

“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.