SCHEMBL6060787

SCHEMBL6060787

COC(=O)/C=C/C1(C2(C)OCCO2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6060792 1.00 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1ALOX15
SCHEMBL6060561 0.82 RXRA (0.30)
SCHEMBL6060557 0.82 RXRA (0.30)
SCHEMBL6059915 0.76 HCAR2 (0.34) HCAR2KEAP1NFE2L2ALDH1A1ALOX15
SCHEMBL6059913 0.76 HCAR2 (0.34) HCAR2KEAP1NFE2L2ALDH1A1ALOX15
SCHEMBL6060099 0.74 PRKCA (0.35) HCAR2KEAP1NFE2L2MAPT
SCHEMBL6060096 0.74 PRKCA (0.35) HCAR2KEAP1NFE2L2MAPT
SCHEMBL6059655 0.73 PRKCA (0.37) HCAR2KEAP1NFE2L2MAPT
SCHEMBL6059662 0.73 PRKCA (0.37) HCAR2KEAP1NFE2L2MAPT
SCHEMBL6060542 0.72 PRKCA (0.39) HCAR2

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 HCAR2 1391/4885KEAP1 1562/4885NFE2L2 459/4885
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 HCAR2 269/4885KEAP1 2015/4885NFE2L2 1749/4885

“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.