SCHEMBL6060116

SCHEMBL6060116

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](O)C4(CCCCCC)CC4)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 11/20 0.52
▸ NR1I2 O75469 2/20 0.48
▸ PGR P06401 2/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ABCB11 O95342 1/20 0.43
▸ GC P02774 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL6060109 1.00 VDR (0.52) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL6059789 1.00 VDR (0.52) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL6059788 1.00 VDR (0.52) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL6060114 0.97 VDR (0.53) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL6059807 0.97 VDR (0.53) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL6059607 0.92 VDR (0.52) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL6060805 0.92 VDR (0.52) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL7715728 0.88 VDR (0.58) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL7716794 0.88 VDR (0.58) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL6060632 0.87 VDR (0.48) VDRNR1I2PGRADORA3SLC6A2

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 4 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

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 VDR 3/4885NR1I2 1968/4885PGR 1344/4885
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 VDR 3/4885NR1I2 414/4885PGR 936/4885

“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.

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