SCHEMBL4801627

SCHEMBL4801627

O=CC(=O)CCCCCCCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
GPR84 Q9NQS5 8/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
FABP4 P15090 2/20 0.50
ALOX15 P16050 2/20 0.50
PTPN1 P18031 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL14332654 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL11678561 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL22309883 0.92 SLC22A6 (0.61) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4811015 0.89 HDAC3 (0.43) TSHRLMNANFKB1PMP22GPR84
Octanedioate SCHEMBL28415097 0.83 TSHR (0.71) TSHRLMNANFKB1PMP22GPR84
SCHEMBL7086929 0.80
SCHEMBL25186232 0.80 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1674812 0.80 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
SCHEMBL166746 0.80 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
SCHEMBL21065467 0.80 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7344851-B2 Anticancer agents based on prevention of protein prenylation ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) 2008-03-18 US disclosed
US-7012097-B2 Anticancer agents based on prevention of protein prenylation THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) 2006-03-14 US disclosed
US-20060030624-A1 Alpha-Dicarbonyl compounds can be used to covalently modify and thereby inactivate prenylating enzymes such as protein farnesyltransferase and protein geranylgeranyltransferase; drug screening; antitumor agents; antiproliferative agents ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) 2006-02-09 US disclosed
US-20030219847-A1 Anticancer agents based on prevention of protein prenylation THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION 2003-11-27 US disclosed
US-6576436-B1 Inactivating farnesyltransferase using a alpha-dicarbonyl compound of given formula; drug screening; antitumor agents; antiproliferative agents THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION 2003-06-10 US disclosed
WO-2000033826-A1 ANTICANCER AGENTS BASED ON PREVENTION OF PROTEIN PRENYLATION THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) 2000-06-15 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 (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-20030219847-A1 Anticancer agents based on prevention of protein prenylation RCE1, FNTA, FNTB TSHR 4367/4885LMNA 2521/4885NFKB1 2343/4885
US-20060030624-A1 Alpha-Dicarbonyl compounds can be used to covalently modify and thereby inactivate prenylating enzymes such as protein farnesyltransferase and protein geranylgeranyltransferase; drug screening; antitumor agents; antiproliferative agents FNTA, FNTB, RCE1 TSHR 4052/4885LMNA 1593/4885NFKB1 2612/4885

“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.