SCHEMBL6424609

SCHEMBL6424609

COC(=O)CCCCOCCO

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
GAA P10253 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.41
EPHX2 P34913 2/20 0.40

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
SCHEMBL5034229 0.98 TSHR (0.54) TSHRGAAKMT2AMEN1THRB
SCHEMBL19666673 0.94 TSHR (0.58) TSHRGAAKMT2AMEN1THRB
SCHEMBL29264633 0.92 TSHR (0.56) TSHRGAAKMT2AMEN1THRB
SCHEMBL8741176 0.92 TSHR (0.56) TSHRGAAKMT2AMEN1THRB
Di(Hydroxyethyl)Ether SCHEMBL3728453 0.89 TSHR (0.58) TSHRGAAKMT2AMEN1THRB
SCHEMBL25196628 0.89 TSHR (0.64) TSHRGAAKMT2AMEN1LMNA
SCHEMBL16059320 0.89 TSHR (0.64) TSHRGAAKMT2AMEN1LMNA
SCHEMBL25193436 0.89 TSHR (0.64) TSHRGAAKMT2AMEN1LMNA
SCHEMBL8368795 0.89 TSHR (0.64) TSHRGAAKMT2AMEN1LMNA
Di(Hydroxyethyl)Ether SCHEMBL23702411 0.88 TSHR (0.67) TSHRKMT2AMEN1LMNAALDH1A1

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-20050282884-A1 N-aryl-carbamic acid ester-derived and valeric acid ester-derived cross-linkers and conjugates, and methods for their synthesis and use BIOSITE, INC. 2005-12-22 US disclosed
US-6967107-B2 N-aryl-carbamic acid ester-derived and valeric acid ester-derived cross-linkers and conjugates, and methods for their synthesis and use BIOSITE, INC. (US) 2005-11-22 US disclosed
US-20050181416-A1 N-ARYL-CARBAMIC ACID ESTER-DERIVED AND VALERIC ACID ESTER-DERIVED CROSS-LINKERS AND CONJUGATES, AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. (FKA BIOSITE INC. OR FKA CHOLESTECH CORP. OR FKA HEMOSENSE INC. OR FKA INVERNESS MEDICAL-BIOSTAR INC. OR FKA ISCHEMIA TECHNOLOGIES, INC. OR FKA TWISTDX, INC.) 2005-08-18 US disclosed
US-6887952-B1 N-aryl-carbamic acid ester-derived and valeric acid ester-derived cross-linkers and conjugates, and methods for their synthesis and use BIOSITE, INC. (US) 2005-05-03 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-20050282884-A1 N-aryl-carbamic acid ester-derived and valeric acid ester-derived cross-linkers and conjugates, and methods for their synthesis and use ASPH, JMJD7, ASNS TSHR 3981/4885GAA 737/4885KMT2A 702/4885
US-20050181416-A1 N-ARYL-CARBAMIC ACID ESTER-DERIVED AND VALERIC ACID ESTER-DERIVED CROSS-LINKERS AND CONJUGATES, AND METHODS FOR THEIR SYNTHESIS AND USE ASPH, JMJD7, ASNS TSHR 3981/4885GAA 737/4885KMT2A 702/4885

“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.