SCHEMBL6059655

SCHEMBL6059655

CCCCCC1(C2(/C=C/C(=O)OC)CC2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 8/20 0.37
ZDHHC20 Q5W0Z9 2/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HCAR2 Q8TDS4 3/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL6059662 1.00 PRKCA (0.37) PRKCAZDHHC20ATMMAPTRAB9A
SCHEMBL6060891 0.99 PRKCA (0.39) PRKCAZDHHC20HCAR2ZDHHC2
SCHEMBL6060888 0.99 PRKCA (0.39) PRKCAZDHHC20HCAR2ZDHHC2
SCHEMBL6060542 0.99 PRKCA (0.39) PRKCAZDHHC20HCAR2ZDHHC2
SCHEMBL6060540 0.99 PRKCA (0.39) PRKCAZDHHC20HCAR2ZDHHC2
SCHEMBL6060096 0.96 PRKCA (0.35) PRKCAZDHHC20ATMMAPTRAB9A
SCHEMBL6060099 0.96 PRKCA (0.35) PRKCAZDHHC20ATMMAPTRAB9A
SCHEMBL6059913 0.90 HCAR2 (0.34) PRKCAHCAR2KEAP1NFE2L2
SCHEMBL6059915 0.90 HCAR2 (0.34) PRKCAHCAR2KEAP1NFE2L2
SCHEMBL6060278 0.86 SIRT2 (0.32)

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-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
US-20030018194-A1 New Vitamin D derivatives with cyclopropyl rings in the side chains, process and intermediate products for their production and their use for the production of pharmaceutical agents STEINMEYER ANDREAS (DE) 2003-01-23 US 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 (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-20050227951-A1 Verification of translation CYP2R1, CYP24A1, VDR PRKCA 3006/4885ZDHHC20 1351/4885ATM 4609/4885
US-20030018194-A1 New Vitamin D derivatives with cyclopropyl rings in the side chains, process and intermediate products for their production and their use for the production of pharmaceutical agents CYP2R1, CYP24A1, VDR PRKCA 801/4885ZDHHC20 987/4885ATM 4705/4885

“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.