SCHEMBL6060271

SCHEMBL6060271

CCCCCCCCC1(C(C)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
CETP P11597 2/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
GPR84 Q9NQS5 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
TLR2 O60603 1/20 0.38

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
SCHEMBL6061103 1.00 CYP4F2 (0.42) CYP4F2CYP4A11CES2CES1CETP
SCHEMBL6059644 1.00 CYP4F2 (0.42) CYP4F2CYP4A11CES2CES1CETP
SCHEMBL6060381 0.91 CETP (0.37) CYP4F2CYP4A11CES2CES1CETP
SCHEMBL798303 0.91 CYP4F2 (0.47) CYP4F2CYP4A11CETP
SCHEMBL28161698 0.90 CETP (0.49) CYP4F2CYP4A11CES2CES1CETP
SCHEMBL2947241 0.89 CETP (0.46) CYP4F2CYP4A11CES2CES1CETP
SCHEMBL10814480 0.83 SIRT2 (0.39) CETP
SCHEMBL11472880 0.83 CETP (0.42) CYP4F2CYP4A11CES2CES1CETP
SCHEMBL23533401 0.83 GPR84 (0.43) CYP4F2CYP4A11TSHRALDH1A1HSD17B10
SCHEMBL222063 0.83 GPR84 (0.43) CYP4F2CYP4A11TSHRALDH1A1HSD17B10

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-7071344-B1 Vitamin D derivatives with cyclopropyl rings in the lateral chains, a method and intermediate products for the production thereof and the utilization thereof for producing medicaments SCHERING AG (DE) 2006-07-04 US disclosed
US-20050227951-A1 Verification of translation STEINMEYER ANDREAS 2005-10-13 US disclosed
EP-1025082-B1 NOVEL VITAMIN D DERIVATIVES WITH CYCLOPROPYL RINGS IN THE LATERAL CHAINS, A METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND THE UTILIZATION THEREOF FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-05-02 EP disclosed
EP-1025082-A1 NOVEL VITAMIN D DERIVATIVES WITH CYCLOPROPYL RINGS IN THE LATERAL CHAINS, A METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND THE UTILIZATION THEREOF FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-09 EP disclosed
WO-1999016745-A1 NOVEL VITAMIN D DERIVATIVES WITH CYCLOPROPYL RINGS IN THE LATERAL CHAINS, A METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND THE UTILIZATION THEREOF FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-04-08 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 (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-20050227951-A1 Verification of translation CYP2R1, CYP24A1, VDR CYP4F2 13/4885CYP4A11 46/4885CES2 3759/4885

“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.