SCHEMBL2611997

SCHEMBL2611997

C=C(C)OCCC(=O)NCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
MCL1 Q07820 1/20 0.36
TSHR P16473 5/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.33
EPHX1 P07099 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
RECQL P46063 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 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
SCHEMBL2612451 0.87 FAAH (0.53) FAAHTSHRHPGDGAARECQL
SCHEMBL2612455 0.85 FAAH (0.56) FAAHTSHRHPGDGAAEPHX1
SCHEMBL770229 0.85 THRB (0.52) FAAHMCL1TSHRHPGDGAA
SCHEMBL12310160 0.79 LMNA (0.41) MCL1TSHRTHRBEPHX1CHRNB2
SCHEMBL10080734 0.77 TSHR (0.53) FAAHMCL1TSHRHPGDGAA
SCHEMBL10482143 0.76 TSHR (0.53) FAAHTSHRHPGDTHRBL3MBTL1
SCHEMBL2608222 0.74 HPGD (0.39) TSHRHPGDGAAKMT2AEPHX1
SCHEMBL12259962 0.74 MEN1 (0.44) FAAHTSHRHPGDGAAKMT2A
SCHEMBL8902507 0.74 FAAH (0.33) FAAHTSHRTHRB
SCHEMBL3033948 0.74

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-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-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 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 FAAH 3150/4885MCL1 4190/4885TSHR 4760/4885

“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.