SCHEMBL5382736

SCHEMBL5382736

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/C=O)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
▸ ADRA1A P35348 3/20 0.48
▸ 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
▸ PTGS2 P35354 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ LMNA P02545 2/20 0.44
▸ ABCB11 O95342 2/20 0.44
▸ AR P10275 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ESR1 P03372 1/20 0.44

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
SCHEMBL14501711 1.00 VDR (0.52) VDRADRA1ANR1I2PGRADORA3
SCHEMBL8527261 1.00 VDR (0.52) VDRADRA1ANR1I2PGRADORA3
SCHEMBL8527611 0.92 VDR (0.47) VDRADRA1ANR1I2PGRADORA3
SCHEMBL5378950 0.92 VDR (0.47) VDRADRA1ANR1I2PGRADORA3
SCHEMBL7154542 0.92 VDR (0.47) VDRADRA1ANR1I2PGRADORA3
SCHEMBL25310518 0.92 VDR (0.47) VDRADRA1ANR1I2PGRADORA3
SCHEMBL5385262 0.92 VDR (0.47) VDRADRA1ANR1I2PGRADORA3
SCHEMBL7151478 0.92 VDR (0.47) VDRADRA1ANR1I2PGRADORA3
SCHEMBL5680998 0.92 VDR (0.47) VDRADRA1ANR1I2PGRADORA3
SCHEMBL8773164 0.92 VDR (0.47) VDRADRA1ANR1I2PGRADORA3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211680-B2 Vitamin D derivatives with carbo-or heterocyclic substituents at C-25, a process for their production, intermediate products and their use for producing medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-01 — — US disclosed
US-7211680-B2 Vitamin D derivatives with carbo-or heterocyclic substituents at C-25, a process for their production, intermediate products and their use for producing medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-01 — — US disclosed
US-20050080058-A1 New vitamin D derivatives with carbo-or heterocyclic substituents at C-25, a process for their production, intermediate products and their use for producing medicaments SCHERING AKTIENGESELLSCHAFT PATENTS (DE) 2005-04-14 — — US disclosed
US-6642218-B2 (5Z,7E,22E)-(1S,3R,24R)-25-(5-Propyloxazol-2-yl)-26,27-cyclo -9,10-secocholesta-5,7,10(19), 22-tetraene-1,3,24-triol for treatment of diseases characterized by hyperproliferation and deficient cell differentiation SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-04 — — US disclosed
US-6613920-B1 25-(5-propylimidazol-2-yl)-26,27-cyclo-9, 10-secocholesta-5,7,10(19),22-tetraene-1,3,24-triol; antagonizes the action of calcitriol in HL 60 cells; hyperprolifierative diseases of the skin, tumor diseases and precancerous stages SCHERING AKTIENGESELLSCHAFT (DE) 2003-09-02 — — US disclosed
US-6600058-B1 The invention concerns new vitamin D derivatives of general formula (I) a process for their production, their use for production of medicaments, and intermediate products used in the process. treating a patient for hyperprolifierative SCHERING AKTIENGELLSCHAFT (DE) 2003-07-29 — — US disclosed
EP-0900198-B1 NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-03-12 — — EP disclosed
US-6531459-B1 Therapy of or prophylaxis against osteoporosis; generating new bone material; treating disease characterized by hyperproliferation and deficient cell differentiation SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-11 — — US disclosed
US-20020049344-A1 NEW VITAMIN D DERIVATIVES WITH CARBO-OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-25 — — US disclosed
EP-0927721-A1 Novel vitamine D derivatives having phosphorus atoms in the side chains, intermediates for their preparation and their use for the preparation of drugs SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-07 — — EP 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-20020049344-A1 NEW VITAMIN D DERIVATIVES WITH CARBO-OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS CYP2R1, VDR, CYP24A1 VDR 2/4885ADRA1A 833/4885NR1I2 392/4885
US-20050080058-A1 New vitamin D derivatives with carbo-or heterocyclic substituents at C-25, a process for their production, intermediate products and their use for producing medicaments VDR, CYP24A1, CYP2R1 VDR 1/4885ADRA1A 823/4885NR1I2 545/4885

“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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