SCHEMBL5453446

SCHEMBL5453446

CCC1CN=C(C2(Br)CC2)O1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13415445 0.66
SCHEMBL8968728 0.66
SCHEMBL5054222 0.65
SCHEMBL5991808 0.63
SCHEMBL26108913 0.59 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL3071497 0.57
SCHEMBL3476441 0.57 NPC1 (0.38) KDM4EALDH1A1
SCHEMBL9340709 0.51 CHRM2 (0.37)
SCHEMBL9343558 0.51 CHRM2 (0.37)
SCHEMBL2449018 0.51 CHRM2 (0.37)

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 8 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-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
CN-1173944-C Vitamin D-derivatives having a carbocyclic or heterocyclic substituent at C-25, method for the production thereof, intermediate products and use thereof for producing medicaments ���ֹɷݹ�˾ 2004-11-03 CN 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
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
CN-1216978-A Vitamin D-derivatives having a carbocyclic or heterocyclic substituent at C-25, method for the production thereof, intermediate products and use thereof for producing medicaments SCHERING AG (DE) 1999-05-19 CN 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 KDM4E 3877/4885ALDH1A1 613/4885
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 KDM4E 3350/4885ALDH1A1 3086/4885

“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.