SCHEMBL6060461

SCHEMBL6060461

CCCCCCCC1(C2(CCOS(=O)(=O)c3ccc(C)cc3)CC2)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
PLA2G2C Q5R387 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
STAT3 P40763 1/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32

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
SCHEMBL6060243 1.00 MCHR1 (0.36) MCHR1PLA2G2CCA12CA1CA9
SCHEMBL6060507 0.99 CA12 (0.35) MCHR1PLA2G2CCA12CA1CA9
SCHEMBL6060394 0.95 CA12 (0.35) MCHR1PLA2G2CCA12CA1CA9
SCHEMBL6060325 0.94 MCHR1 (0.36) MCHR1PLA2G2CCA12CA1CA9
SCHEMBL6060506 0.94 MCHR1 (0.36) MCHR1PLA2G2CCA12CA1CA9
SCHEMBL6060447 0.93 CA12 (0.34) MCHR1PLA2G2CCA12CA1CA9
SCHEMBL6060048 0.91 CA12 (0.37) CA12CA1CA9STAT3ALDH1A1
SCHEMBL6060897 0.90 CA12 (0.35) MCHR1CA12CA1CA9CNR2
SCHEMBL6060301 0.86 CA12 (0.35) CA12CA1CA9STAT3ALDH1A1
SCHEMBL6059650 0.79 CA12 (0.39) CA12CA1CA9STAT3ALDH1A1

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 MCHR1 3479/4885PLA2G2C 2123/4885CA12 2219/4885
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 MCHR1 1708/4885PLA2G2C 2097/4885CA12 3581/4885

“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.