SCHEMBL4810550

SCHEMBL4810550

CC(=O)C(=O)CC(C)CCC=C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.53
ALDH1A1 P00352 2/20 0.53
GGPS1 O95749 2/20 0.50
FDPS P14324 2/20 0.50
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 2/20 0.43
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL6050718 0.92 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL991834 0.92 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL4608511 0.83 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL5136231 0.83 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
Citronellic Acid SCHEMBL29908535 0.82 GGPS1 (0.52) ALOX15ALDH1A1GGPS1FDPSTSHR
Citronellic Acid SCHEMBL29715943 0.82 ALOX15 (0.52) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL3879795 0.82 ALOX15 (0.47) ALOX15ALDH1A1GGPS1FDPSTSHR
Citronellic Acid SCHEMBL714852 0.82 ALOX15 (0.55) ALOX15ALDH1A1GGPS1FDPSTSHR
Citronellic Acid SCHEMBL193354 0.82 ALOX15 (0.55) ALOX15ALDH1A1GGPS1FDPSTSHR
Citronellic Acid SCHEMBL712982 0.82 ALOX15 (0.55) ALOX15ALDH1A1GGPS1FDPSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012097-B2 Anticancer agents based on prevention of protein prenylation THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) 2006-03-14 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
US-7344851-B2 Anticancer agents based on prevention of protein prenylation ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) 2008-03-18 US disclosed
US-7344851-B2 Anticancer agents based on prevention of protein prenylation ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) 2008-03-18 US disclosed
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 ALOX15 3659/4885ALDH1A1 2526/4885GGPS1 4/4885
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 ALOX15 4243/4885ALDH1A1 1179/4885GGPS1 4/4885

“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.