SCHEMBL2608199

SCHEMBL2608199

C=C(C)C(=O)NCCCCOC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL2608172 0.98 ACHE (0.41) ACHETSHRALDH1A1KDM4EMAPK1
SCHEMBL2608179 0.88 MEN1 (0.39) ACHETSHRALDH1A1
SCHEMBL2612360 0.84 ALDH1A1 (0.45) ACHETSHRALDH1A1KDM4EMAPK1
SCHEMBL16803336 0.84 TSHR (0.50) ACHETSHRKDM4EMAPK1HIF1A
SCHEMBL340563 0.83 ALDH1A1 (0.41) ACHETSHRALDH1A1
SCHEMBL10081653 0.83 FAAH (0.45) ACHETSHRALDH1A1KDM4EMAPK1
SCHEMBL29100282 0.81 TSHR (0.61) ACHETSHRKDM4EMAPK1HIF1A
SCHEMBL21122833 0.81 ACHE (0.40) ACHETSHRKDM4EMAPK1HIF1A
SCHEMBL29100295 0.81 TSHR (0.61) ACHETSHRKDM4EMAPK1HIF1A
SCHEMBL2608239 0.81 ALDH1A1 (0.58) TSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158021-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, liquid crystalline polymer, and optical anisotropic article ZEON CORPORATION (JP) 2012-04-17 US disclosed
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE ZEON CORPORATION (JP) 2010-10-14 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-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 ACHE 4310/4885TSHR 4760/4885ALDH1A1 2720/4885

“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.