SCHEMBL4811015

SCHEMBL4811015

O=CC(=O)CCCCCCCCC(=O)C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
TRPA1 O75762 1/20 0.41
POLB P06746 1/20 0.35
POLA1 P09884 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
GPR84 Q9NQS5 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL9594728 0.89 GPR84 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4801627 0.89 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL11678561 0.89 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL14332654 0.89 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL2567832 0.87 TRPA1 (0.59) TSHRTRPA1CES2CES1GPR84
SCHEMBL3885451 0.87 TRPA1 (0.59) TSHRTRPA1CES2CES1GPR84
SCHEMBL5658037 0.87 LMNA (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10582668 0.87 TRPA1 (0.59) TSHRTRPA1CES2CES1GPR84
SCHEMBL11159859 0.87 TRPA1 (0.59) TSHRTRPA1CES2CES1GPR84
SCHEMBL10821138 0.87 TRPA1 (0.59) TSHRTRPA1CES2CES1GPR84

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 5 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 claimed
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 claimed
US-20030219847-A1 Anticancer agents based on prevention of protein prenylation THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION 2003-11-27 US claimed
WO-2000033826-A1 ANTICANCER AGENTS BASED ON PREVENTION OF PROTEIN PRENYLATION THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) 2000-06-15 WO claimed
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 HDAC3 1789/4885HDAC1 1095/4885HDAC2 2151/4885
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 HDAC3 1670/4885HDAC1 916/4885HDAC2 2016/4885

“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.